USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1022 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 487 TYR OH : rot 30:sc= 0.055 USER MOD Set 1.2: A 520 LYS NZ :NH3+ -103:sc= 0.245 (180deg=-0.942) USER MOD Set 2.1: A 403 SER OG : rot 180:sc= 0.883 USER MOD Set 2.2: A 430 GLN : amide:sc= 0.972 X(o=1.9,f=2.1) USER MOD Set 3.1: A 398 LYS NZ :NH3+ -178:sc= 1.01 (180deg=-0.00301) USER MOD Set 3.2: A 472 GLN : amide:sc= 0.473 K(o=1.5,f=-5.7!) USER MOD Single : A 426 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 429 CYS SG : rot -17:sc= 0.33 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 434 ASN : amide:sc= 0.546 K(o=0.55,f=-1.3) USER MOD Single : A 435 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-1.3) USER MOD Single : A 438 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.053) USER MOD Single : A 440 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.479) USER MOD Single : A 441 THR OG1 : rot 178:sc= 0.445 USER MOD Single : A 443 GLN : amide:sc= -0.642 K(o=-0.64,f=0) USER MOD Single : A 446 GLN : amide:sc= -0.375 K(o=-0.38,f=-2) USER MOD Single : A 447 LYS NZ :NH3+ -138:sc= 1.19 (180deg=0.808) USER MOD Single : A 450 MET CE :methyl 153:sc= -0.0379 (180deg=-0.779) USER MOD Single : A 451 GLN : amide:sc= -1.19! K(o=-1.2!,f=-0.063) USER MOD Single : A 455 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.015) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 459 THR OG1 : rot 180:sc= 0 USER MOD Single : A 460 THR OG1 : rot 93:sc= 0.36 USER MOD Single : A 467 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 SER OG : rot -111:sc= -0.84 USER MOD Single : A 470 MET CE :methyl 143:sc= -0.436 (180deg=-1.72!) USER MOD Single : A 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 482 SER OG : rot 165:sc= -0.64 USER MOD Single : A 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 MET CE :methyl -117:sc= 0 (180deg=-0.142) USER MOD Single : A 492 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.73) USER MOD Single : A 497 CYS SG : rot -16:sc= -1.97! USER MOD Single : A 499 HIS : no HE2:sc= -0.495 K(o=-0.49,f=-1.4) USER MOD Single : A 512 MET CE :methyl 147:sc= -1.17 (180deg=-5.35!) USER MOD Single : A 515 TYR OH : rot -81:sc= -0.0959 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 518 LYS NZ :NH3+ 170:sc=-0.00878 (180deg=-0.126) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 MET CE :methyl -163:sc= -0.0788 (180deg=-0.468) USER MOD Single : A 528 TYR OH : rot 130:sc= -1.21 USER MOD Single : A 530 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 531 SER OG : rot 63:sc= 1.35 USER MOD Single : A 535 ASN : amide:sc=-0.00462 X(o=-0.0046,f=-0.33) USER MOD Single : A 539 GLN : amide:sc= -0.679 K(o=-0.68,f=0) USER MOD Single : A 542 THR OG1 : rot 85:sc= 0.589 USER MOD Single : A 543 ASN : amide:sc= -0.995 K(o=-0.99,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 72 N LYS A 398 18.677 3.073 2.960 1.00 0.00 N ATOM 73 CA LYS A 398 17.801 2.090 2.409 1.00 0.00 C ATOM 74 C LYS A 398 18.192 1.883 0.971 1.00 0.00 C ATOM 75 O LYS A 398 18.894 2.708 0.396 1.00 0.00 O ATOM 76 CB LYS A 398 16.346 2.501 2.516 1.00 0.00 C ATOM 77 CG LYS A 398 15.852 2.615 3.932 1.00 0.00 C ATOM 78 CD LYS A 398 14.389 2.938 3.947 1.00 0.00 C ATOM 79 CE LYS A 398 13.835 3.105 5.368 1.00 0.00 C ATOM 80 NZ LYS A 398 14.309 4.346 6.023 1.00 0.00 N ATOM 0 HA LYS A 398 17.898 1.162 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 398 16.211 3.460 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 398 15.732 1.774 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 398 16.031 1.680 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 398 16.408 3.391 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 398 14.218 3.856 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 398 13.841 2.145 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 398 12.746 3.112 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 398 14.128 2.246 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 398 13.933 4.393 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 398 15.349 4.346 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 398 13.979 5.171 5.483 1.00 0.00 H new ATOM 94 N LEU A 399 17.796 0.800 0.406 1.00 0.00 N ATOM 95 CA LEU A 399 18.197 0.482 -0.935 1.00 0.00 C ATOM 96 C LEU A 399 17.192 1.042 -1.927 1.00 0.00 C ATOM 97 O LEU A 399 16.000 0.764 -1.822 1.00 0.00 O ATOM 98 CB LEU A 399 18.366 -1.047 -1.135 1.00 0.00 C ATOM 99 CG LEU A 399 19.251 -1.783 -0.128 1.00 0.00 C ATOM 100 CD1 LEU A 399 18.446 -2.198 1.077 1.00 0.00 C ATOM 101 CD2 LEU A 399 19.915 -2.982 -0.741 1.00 0.00 C ATOM 0 H LEU A 399 17.190 0.108 0.847 1.00 0.00 H new ATOM 0 HA LEU A 399 19.168 0.944 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 399 17.376 -1.503 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 399 18.774 -1.216 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 399 20.034 -1.091 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 399 19.091 -2.720 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 399 18.025 -1.314 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 399 17.639 -2.860 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 399 20.535 -3.477 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 399 19.154 -3.676 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 399 20.539 -2.665 -1.577 1.00 0.00 H new ATOM 113 N LEU A 400 17.663 1.879 -2.845 1.00 0.00 N ATOM 114 CA LEU A 400 16.820 2.402 -3.912 1.00 0.00 C ATOM 115 C LEU A 400 16.353 1.237 -4.750 1.00 0.00 C ATOM 116 O LEU A 400 17.176 0.532 -5.358 1.00 0.00 O ATOM 117 CB LEU A 400 17.590 3.414 -4.775 1.00 0.00 C ATOM 118 CG LEU A 400 16.837 3.990 -5.987 1.00 0.00 C ATOM 119 CD1 LEU A 400 15.565 4.713 -5.560 1.00 0.00 C ATOM 120 CD2 LEU A 400 17.742 4.922 -6.772 1.00 0.00 C ATOM 0 H LEU A 400 18.627 2.210 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 400 15.965 2.926 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 400 17.897 4.243 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 400 18.500 2.934 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 400 16.545 3.158 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 400 15.058 5.108 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 400 14.906 4.015 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 400 15.821 5.534 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 400 17.198 5.323 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 400 18.065 5.742 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 400 18.615 4.371 -7.123 1.00 0.00 H new ATOM 132 N ALA A 401 15.068 1.008 -4.766 1.00 0.00 N ATOM 133 CA ALA A 401 14.559 -0.168 -5.395 1.00 0.00 C ATOM 134 C ALA A 401 13.622 0.115 -6.539 1.00 0.00 C ATOM 135 O ALA A 401 13.832 -0.390 -7.648 1.00 0.00 O ATOM 136 CB ALA A 401 13.883 -1.043 -4.364 1.00 0.00 C ATOM 0 H ALA A 401 14.363 1.618 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 401 15.413 -0.687 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 401 13.495 -1.940 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 401 14.605 -1.326 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 401 13.061 -0.494 -3.904 1.00 0.00 H new ATOM 142 N TRP A 402 12.603 0.918 -6.308 1.00 0.00 N ATOM 143 CA TRP A 402 11.581 1.050 -7.313 1.00 0.00 C ATOM 144 C TRP A 402 10.984 2.442 -7.361 1.00 0.00 C ATOM 145 O TRP A 402 10.711 3.057 -6.344 1.00 0.00 O ATOM 146 CB TRP A 402 10.497 -0.019 -7.043 1.00 0.00 C ATOM 147 CG TRP A 402 9.332 -0.062 -7.991 1.00 0.00 C ATOM 148 CD1 TRP A 402 9.334 -0.462 -9.294 1.00 0.00 C ATOM 149 CD2 TRP A 402 7.978 0.259 -7.673 1.00 0.00 C ATOM 150 NE1 TRP A 402 8.061 -0.384 -9.807 1.00 0.00 N ATOM 151 CE2 TRP A 402 7.211 0.056 -8.827 1.00 0.00 C ATOM 152 CE3 TRP A 402 7.348 0.705 -6.521 1.00 0.00 C ATOM 153 CZ2 TRP A 402 5.835 0.289 -8.855 1.00 0.00 C ATOM 154 CZ3 TRP A 402 5.992 0.935 -6.543 1.00 0.00 C ATOM 155 CH2 TRP A 402 5.247 0.727 -7.705 1.00 0.00 C ATOM 0 H TRP A 402 12.466 1.470 -5.461 1.00 0.00 H new ATOM 0 HA TRP A 402 12.030 0.892 -8.294 1.00 0.00 H new ATOM 0 HB2 TRP A 402 10.977 -0.998 -7.051 1.00 0.00 H new ATOM 0 HB3 TRP A 402 10.109 0.138 -6.036 1.00 0.00 H new ATOM 0 HD1 TRP A 402 10.205 -0.791 -9.841 1.00 0.00 H new ATOM 0 HE1 TRP A 402 7.793 -0.616 -10.763 1.00 0.00 H new ATOM 0 HE3 TRP A 402 7.915 0.870 -5.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 5.258 0.128 -9.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 5.496 1.282 -5.648 1.00 0.00 H new ATOM 0 HH2 TRP A 402 4.184 0.917 -7.693 1.00 0.00 H new ATOM 166 N SER A 403 10.866 2.945 -8.542 1.00 0.00 N ATOM 167 CA SER A 403 10.155 4.148 -8.800 1.00 0.00 C ATOM 168 C SER A 403 8.929 3.724 -9.576 1.00 0.00 C ATOM 169 O SER A 403 9.059 3.099 -10.639 1.00 0.00 O ATOM 170 CB SER A 403 11.024 5.103 -9.633 1.00 0.00 C ATOM 171 OG SER A 403 10.371 6.342 -9.883 1.00 0.00 O ATOM 0 H SER A 403 11.272 2.519 -9.375 1.00 0.00 H new ATOM 0 HA SER A 403 9.888 4.677 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 403 11.962 5.288 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 403 11.276 4.629 -10.582 1.00 0.00 H new ATOM 0 HG SER A 403 10.958 6.920 -10.414 1.00 0.00 H new ATOM 177 N GLY A 404 7.763 3.993 -9.052 1.00 0.00 N ATOM 178 CA GLY A 404 6.579 3.552 -9.714 1.00 0.00 C ATOM 179 C GLY A 404 5.379 4.342 -9.319 1.00 0.00 C ATOM 180 O GLY A 404 5.485 5.330 -8.567 1.00 0.00 O ATOM 0 H GLY A 404 7.615 4.507 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 404 6.720 3.626 -10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 404 6.409 2.500 -9.486 1.00 0.00 H new ATOM 184 N VAL A 405 4.247 3.906 -9.785 1.00 0.00 N ATOM 185 CA VAL A 405 3.011 4.586 -9.575 1.00 0.00 C ATOM 186 C VAL A 405 2.048 3.650 -8.856 1.00 0.00 C ATOM 187 O VAL A 405 2.019 2.443 -9.117 1.00 0.00 O ATOM 188 CB VAL A 405 2.397 5.044 -10.942 1.00 0.00 C ATOM 189 CG1 VAL A 405 1.097 5.807 -10.753 1.00 0.00 C ATOM 190 CG2 VAL A 405 3.391 5.890 -11.731 1.00 0.00 C ATOM 0 H VAL A 405 4.159 3.050 -10.332 1.00 0.00 H new ATOM 0 HA VAL A 405 3.186 5.473 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 405 2.175 4.140 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 405 0.706 6.106 -11.726 1.00 0.00 H new ATOM 0 HG12 VAL A 405 0.370 5.169 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 405 1.281 6.695 -10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 405 2.940 6.195 -12.675 1.00 0.00 H new ATOM 0 HG22 VAL A 405 3.655 6.775 -11.152 1.00 0.00 H new ATOM 0 HG23 VAL A 405 4.289 5.305 -11.930 1.00 0.00 H new ATOM 200 N LEU A 406 1.278 4.189 -7.968 1.00 0.00 N ATOM 201 CA LEU A 406 0.310 3.414 -7.261 1.00 0.00 C ATOM 202 C LEU A 406 -1.038 3.869 -7.683 1.00 0.00 C ATOM 203 O LEU A 406 -1.271 5.072 -7.872 1.00 0.00 O ATOM 204 CB LEU A 406 0.423 3.612 -5.745 1.00 0.00 C ATOM 205 CG LEU A 406 1.735 3.232 -5.072 1.00 0.00 C ATOM 206 CD1 LEU A 406 1.636 3.520 -3.584 1.00 0.00 C ATOM 207 CD2 LEU A 406 2.062 1.766 -5.303 1.00 0.00 C ATOM 0 H LEU A 406 1.301 5.176 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 406 0.478 2.361 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.229 4.663 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -0.374 3.037 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 406 2.539 3.826 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 406 2.573 3.249 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 406 1.441 4.581 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 406 0.822 2.936 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 406 3.004 1.521 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 406 1.266 1.146 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 406 2.151 1.577 -6.373 1.00 0.00 H new ATOM 219 N GLU A 407 -1.900 2.938 -7.874 1.00 0.00 N ATOM 220 CA GLU A 407 -3.236 3.217 -8.194 1.00 0.00 C ATOM 221 C GLU A 407 -4.115 2.730 -7.083 1.00 0.00 C ATOM 222 O GLU A 407 -4.047 1.573 -6.673 1.00 0.00 O ATOM 223 CB GLU A 407 -3.622 2.648 -9.557 1.00 0.00 C ATOM 224 CG GLU A 407 -3.209 3.570 -10.673 1.00 0.00 C ATOM 225 CD GLU A 407 -3.702 3.203 -12.040 1.00 0.00 C ATOM 226 OE1 GLU A 407 -4.872 3.474 -12.351 1.00 0.00 O ATOM 227 OE2 GLU A 407 -2.912 2.735 -12.862 1.00 0.00 O ATOM 0 H GLU A 407 -1.684 1.943 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 407 -3.372 4.294 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -3.151 1.675 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -4.700 2.488 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -3.561 4.574 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -2.120 3.612 -10.700 1.00 0.00 H new ATOM 234 N TRP A 408 -4.913 3.604 -6.583 1.00 0.00 N ATOM 235 CA TRP A 408 -5.733 3.306 -5.460 1.00 0.00 C ATOM 236 C TRP A 408 -7.177 3.546 -5.761 1.00 0.00 C ATOM 237 O TRP A 408 -7.530 4.412 -6.584 1.00 0.00 O ATOM 238 CB TRP A 408 -5.271 4.085 -4.210 1.00 0.00 C ATOM 239 CG TRP A 408 -5.185 5.577 -4.384 1.00 0.00 C ATOM 240 CD1 TRP A 408 -4.134 6.278 -4.906 1.00 0.00 C ATOM 241 CD2 TRP A 408 -6.167 6.551 -4.011 1.00 0.00 C ATOM 242 NE1 TRP A 408 -4.412 7.614 -4.899 1.00 0.00 N ATOM 243 CE2 TRP A 408 -5.650 7.812 -4.355 1.00 0.00 C ATOM 244 CE3 TRP A 408 -7.436 6.480 -3.428 1.00 0.00 C ATOM 245 CZ2 TRP A 408 -6.353 8.992 -4.134 1.00 0.00 C ATOM 246 CZ3 TRP A 408 -8.132 7.652 -3.210 1.00 0.00 C ATOM 247 CH2 TRP A 408 -7.589 8.891 -3.564 1.00 0.00 C ATOM 0 H TRP A 408 -5.018 4.553 -6.942 1.00 0.00 H new ATOM 0 HA TRP A 408 -5.623 2.244 -5.240 1.00 0.00 H new ATOM 0 HB2 TRP A 408 -5.958 3.869 -3.392 1.00 0.00 H new ATOM 0 HB3 TRP A 408 -4.291 3.713 -3.910 1.00 0.00 H new ATOM 0 HD1 TRP A 408 -3.217 5.839 -5.271 1.00 0.00 H new ATOM 0 HE1 TRP A 408 -3.794 8.348 -5.245 1.00 0.00 H new ATOM 0 HE3 TRP A 408 -7.863 5.527 -3.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 408 -5.937 9.951 -4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 408 -9.112 7.611 -2.759 1.00 0.00 H new ATOM 0 HH2 TRP A 408 -8.161 9.789 -3.382 1.00 0.00 H new ATOM 504 N ARG A 425 -7.323 5.805 -9.103 1.00 0.00 N ATOM 505 CA ARG A 425 -6.507 6.976 -9.333 1.00 0.00 C ATOM 506 C ARG A 425 -5.057 6.692 -9.048 1.00 0.00 C ATOM 507 O ARG A 425 -4.739 5.902 -8.162 1.00 0.00 O ATOM 508 CB ARG A 425 -7.027 8.176 -8.547 1.00 0.00 C ATOM 509 CG ARG A 425 -8.416 8.629 -8.993 1.00 0.00 C ATOM 510 CD ARG A 425 -8.435 8.945 -10.482 1.00 0.00 C ATOM 511 NE ARG A 425 -9.699 9.525 -10.921 1.00 0.00 N ATOM 512 CZ ARG A 425 -10.215 9.418 -12.150 1.00 0.00 C ATOM 513 NH1 ARG A 425 -9.624 8.649 -13.071 1.00 0.00 N ATOM 514 NH2 ARG A 425 -11.330 10.066 -12.447 1.00 0.00 N ATOM 0 HA ARG A 425 -6.578 7.236 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -7.057 7.923 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -6.328 9.005 -8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -9.145 7.849 -8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -8.714 9.511 -8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.624 9.636 -10.712 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -8.245 8.031 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 425 -10.234 10.056 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.772 8.138 -12.838 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -10.025 8.574 -14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -11.789 10.642 -11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -11.730 9.990 -13.382 1.00 0.00 H new ATOM 528 N SER A 426 -4.194 7.332 -9.797 1.00 0.00 N ATOM 529 CA SER A 426 -2.784 7.072 -9.756 1.00 0.00 C ATOM 530 C SER A 426 -1.948 8.208 -9.153 1.00 0.00 C ATOM 531 O SER A 426 -2.208 9.402 -9.395 1.00 0.00 O ATOM 532 CB SER A 426 -2.327 6.749 -11.171 1.00 0.00 C ATOM 533 OG SER A 426 -2.991 7.585 -12.132 1.00 0.00 O ATOM 0 H SER A 426 -4.460 8.059 -10.461 1.00 0.00 H new ATOM 0 HA SER A 426 -2.620 6.229 -9.084 1.00 0.00 H new ATOM 0 HB2 SER A 426 -1.248 6.886 -11.248 1.00 0.00 H new ATOM 0 HB3 SER A 426 -2.532 5.702 -11.392 1.00 0.00 H new ATOM 0 HG SER A 426 -2.679 7.359 -13.033 1.00 0.00 H new ATOM 539 N LEU A 427 -0.957 7.820 -8.367 1.00 0.00 N ATOM 540 CA LEU A 427 0.006 8.726 -7.765 1.00 0.00 C ATOM 541 C LEU A 427 1.416 8.136 -7.869 1.00 0.00 C ATOM 542 O LEU A 427 1.629 6.977 -7.488 1.00 0.00 O ATOM 543 CB LEU A 427 -0.349 8.998 -6.300 1.00 0.00 C ATOM 544 CG LEU A 427 -1.562 9.895 -6.064 1.00 0.00 C ATOM 545 CD1 LEU A 427 -1.907 9.936 -4.595 1.00 0.00 C ATOM 546 CD2 LEU A 427 -1.273 11.299 -6.565 1.00 0.00 C ATOM 0 H LEU A 427 -0.797 6.842 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 427 -0.023 9.672 -8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 427 -0.526 8.043 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 427 0.515 9.453 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 427 -2.411 9.486 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 427 -2.774 10.579 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 427 -2.137 8.929 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 427 -1.060 10.329 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 427 -2.143 11.933 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 427 -0.415 11.707 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 427 -1.053 11.266 -7.632 1.00 0.00 H new ATOM 558 N PRO A 428 2.378 8.884 -8.454 1.00 0.00 N ATOM 559 CA PRO A 428 3.774 8.441 -8.558 1.00 0.00 C ATOM 560 C PRO A 428 4.505 8.553 -7.211 1.00 0.00 C ATOM 561 O PRO A 428 4.239 9.470 -6.408 1.00 0.00 O ATOM 562 CB PRO A 428 4.396 9.405 -9.588 1.00 0.00 C ATOM 563 CG PRO A 428 3.254 10.199 -10.141 1.00 0.00 C ATOM 564 CD PRO A 428 2.192 10.197 -9.086 1.00 0.00 C ATOM 0 HA PRO A 428 3.849 7.394 -8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 428 5.134 10.055 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 428 4.910 8.856 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 428 3.566 11.216 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 428 2.884 9.756 -11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 428 2.324 11.013 -8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 428 1.195 10.305 -9.513 1.00 0.00 H new ATOM 572 N CYS A 429 5.417 7.649 -6.969 1.00 0.00 N ATOM 573 CA CYS A 429 6.120 7.603 -5.717 1.00 0.00 C ATOM 574 C CYS A 429 7.552 7.096 -5.915 1.00 0.00 C ATOM 575 O CYS A 429 7.908 6.610 -7.002 1.00 0.00 O ATOM 576 CB CYS A 429 5.343 6.702 -4.746 1.00 0.00 C ATOM 577 SG CYS A 429 5.036 5.036 -5.382 1.00 0.00 S ATOM 0 H CYS A 429 5.692 6.926 -7.633 1.00 0.00 H new ATOM 0 HA CYS A 429 6.189 8.607 -5.299 1.00 0.00 H new ATOM 0 HB2 CYS A 429 5.898 6.627 -3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 429 4.388 7.173 -4.513 1.00 0.00 H new ATOM 0 HG CYS A 429 5.208 5.025 -6.671 1.00 0.00 H new ATOM 583 N GLN A 430 8.360 7.254 -4.892 1.00 0.00 N ATOM 584 CA GLN A 430 9.724 6.763 -4.847 1.00 0.00 C ATOM 585 C GLN A 430 9.782 5.746 -3.742 1.00 0.00 C ATOM 586 O GLN A 430 9.301 6.016 -2.630 1.00 0.00 O ATOM 587 CB GLN A 430 10.705 7.904 -4.523 1.00 0.00 C ATOM 588 CG GLN A 430 10.801 8.988 -5.581 1.00 0.00 C ATOM 589 CD GLN A 430 11.290 8.447 -6.904 1.00 0.00 C ATOM 590 OE1 GLN A 430 12.488 8.401 -7.170 1.00 0.00 O ATOM 591 NE2 GLN A 430 10.381 8.038 -7.736 1.00 0.00 N ATOM 0 H GLN A 430 8.081 7.742 -4.041 1.00 0.00 H new ATOM 0 HA GLN A 430 10.003 6.338 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 430 10.406 8.363 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 430 11.697 7.478 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 430 9.823 9.449 -5.717 1.00 0.00 H new ATOM 0 HG3 GLN A 430 11.477 9.771 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 430 9.395 8.091 -7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 430 10.653 7.663 -8.645 1.00 0.00 H new ATOM 600 N VAL A 431 10.322 4.580 -4.034 1.00 0.00 N ATOM 601 CA VAL A 431 10.345 3.505 -3.074 1.00 0.00 C ATOM 602 C VAL A 431 11.751 2.982 -2.832 1.00 0.00 C ATOM 603 O VAL A 431 12.479 2.555 -3.775 1.00 0.00 O ATOM 604 CB VAL A 431 9.437 2.332 -3.524 1.00 0.00 C ATOM 605 CG1 VAL A 431 9.363 1.232 -2.467 1.00 0.00 C ATOM 606 CG2 VAL A 431 8.056 2.839 -3.868 1.00 0.00 C ATOM 0 H VAL A 431 10.751 4.356 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 431 9.966 3.921 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 431 9.882 1.892 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 431 8.717 0.429 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 431 10.362 0.838 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 431 8.957 1.643 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 431 7.430 2.004 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 431 7.614 3.314 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 431 8.126 3.565 -4.678 1.00 0.00 H new ATOM 616 N TYR A 432 12.120 3.013 -1.590 1.00 0.00 N ATOM 617 CA TYR A 432 13.354 2.456 -1.116 1.00 0.00 C ATOM 618 C TYR A 432 12.992 1.238 -0.325 1.00 0.00 C ATOM 619 O TYR A 432 11.858 1.130 0.134 1.00 0.00 O ATOM 620 CB TYR A 432 14.088 3.438 -0.193 1.00 0.00 C ATOM 621 CG TYR A 432 14.474 4.729 -0.844 1.00 0.00 C ATOM 622 CD1 TYR A 432 13.684 5.862 -0.715 1.00 0.00 C ATOM 623 CD2 TYR A 432 15.620 4.810 -1.602 1.00 0.00 C ATOM 624 CE1 TYR A 432 14.032 7.048 -1.331 1.00 0.00 C ATOM 625 CE2 TYR A 432 15.985 5.990 -2.222 1.00 0.00 C ATOM 626 CZ TYR A 432 15.186 7.106 -2.085 1.00 0.00 C ATOM 627 OH TYR A 432 15.537 8.285 -2.715 1.00 0.00 O ATOM 0 H TYR A 432 11.556 3.438 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 432 14.010 2.230 -1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 432 13.453 3.654 0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 432 14.987 2.955 0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 432 12.782 5.816 -0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 432 16.245 3.936 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 432 13.407 7.922 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 432 16.890 6.038 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 432 16.377 8.157 -3.204 1.00 0.00 H new ATOM 637 N VAL A 433 13.901 0.340 -0.150 1.00 0.00 N ATOM 638 CA VAL A 433 13.624 -0.817 0.648 1.00 0.00 C ATOM 639 C VAL A 433 14.602 -0.901 1.790 1.00 0.00 C ATOM 640 O VAL A 433 15.768 -0.550 1.650 1.00 0.00 O ATOM 641 CB VAL A 433 13.643 -2.147 -0.185 1.00 0.00 C ATOM 642 CG1 VAL A 433 12.534 -2.161 -1.220 1.00 0.00 C ATOM 643 CG2 VAL A 433 14.982 -2.353 -0.872 1.00 0.00 C ATOM 0 H VAL A 433 14.841 0.379 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 433 12.612 -0.704 1.038 1.00 0.00 H new ATOM 0 HB VAL A 433 13.482 -2.965 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 433 12.572 -3.094 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 433 11.569 -2.077 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 433 12.663 -1.321 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 433 14.960 -3.283 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 433 15.176 -1.520 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 433 15.772 -2.404 -0.122 1.00 0.00 H new ATOM 653 N ASN A 434 14.113 -1.273 2.932 1.00 0.00 N ATOM 654 CA ASN A 434 14.956 -1.506 4.049 1.00 0.00 C ATOM 655 C ASN A 434 15.257 -2.986 4.111 1.00 0.00 C ATOM 656 O ASN A 434 14.281 -3.856 4.074 1.00 0.00 O ATOM 657 CB ASN A 434 14.407 -0.922 5.370 1.00 0.00 C ATOM 658 CG ASN A 434 15.338 -1.139 6.555 1.00 0.00 C ATOM 659 OD1 ASN A 434 16.563 -1.173 6.398 1.00 0.00 O ATOM 660 ND2 ASN A 434 14.780 -1.296 7.739 1.00 0.00 N ATOM 0 H ASN A 434 13.120 -1.422 3.110 1.00 0.00 H new ATOM 0 HA ASN A 434 15.891 -0.962 3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 434 14.234 0.147 5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 434 13.441 -1.378 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 434 15.363 -1.451 8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 434 13.765 -1.262 7.833 1.00 0.00 H new ATOM 667 N HIS A 435 16.573 -3.228 4.273 1.00 0.00 N ATOM 668 CA HIS A 435 17.303 -4.506 4.137 1.00 0.00 C ATOM 669 C HIS A 435 16.581 -5.758 4.632 1.00 0.00 C ATOM 670 O HIS A 435 15.782 -5.723 5.570 1.00 0.00 O ATOM 671 CB HIS A 435 18.676 -4.434 4.829 1.00 0.00 C ATOM 672 CG HIS A 435 19.712 -3.532 4.195 1.00 0.00 C ATOM 673 ND1 HIS A 435 20.895 -3.987 3.642 1.00 0.00 N ATOM 674 CD2 HIS A 435 19.759 -2.182 4.089 1.00 0.00 C ATOM 675 CE1 HIS A 435 21.601 -2.930 3.238 1.00 0.00 C ATOM 676 NE2 HIS A 435 20.957 -1.807 3.488 1.00 0.00 N ATOM 0 H HIS A 435 17.208 -2.470 4.524 1.00 0.00 H new ATOM 0 HA HIS A 435 17.396 -4.621 3.057 1.00 0.00 H new ATOM 0 HB2 HIS A 435 18.522 -4.105 5.857 1.00 0.00 H new ATOM 0 HB3 HIS A 435 19.086 -5.443 4.876 1.00 0.00 H new ATOM 0 HD2 HIS A 435 18.987 -1.503 4.419 1.00 0.00 H new ATOM 0 HE1 HIS A 435 22.572 -2.987 2.768 1.00 0.00 H new ATOM 0 HE2 HIS A 435 21.272 -0.859 3.283 1.00 0.00 H new ATOM 684 N GLY A 436 16.955 -6.878 4.029 1.00 0.00 N ATOM 685 CA GLY A 436 16.372 -8.157 4.362 1.00 0.00 C ATOM 686 C GLY A 436 15.504 -8.634 3.232 1.00 0.00 C ATOM 687 O GLY A 436 14.941 -9.738 3.262 1.00 0.00 O ATOM 0 H GLY A 436 17.667 -6.919 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 436 17.159 -8.885 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 436 15.781 -8.071 5.274 1.00 0.00 H new ATOM 691 N GLU A 437 15.417 -7.799 2.236 1.00 0.00 N ATOM 692 CA GLU A 437 14.554 -7.974 1.114 1.00 0.00 C ATOM 693 C GLU A 437 15.149 -8.903 0.052 1.00 0.00 C ATOM 694 O GLU A 437 16.354 -9.190 0.052 1.00 0.00 O ATOM 695 CB GLU A 437 14.291 -6.583 0.491 1.00 0.00 C ATOM 696 CG GLU A 437 15.417 -5.995 -0.409 1.00 0.00 C ATOM 697 CD GLU A 437 16.814 -5.988 0.194 1.00 0.00 C ATOM 698 OE1 GLU A 437 16.965 -5.677 1.375 1.00 0.00 O ATOM 699 OE2 GLU A 437 17.783 -6.310 -0.529 1.00 0.00 O ATOM 0 H GLU A 437 15.971 -6.944 2.186 1.00 0.00 H new ATOM 0 HA GLU A 437 13.631 -8.439 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 437 13.378 -6.643 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 437 14.100 -5.878 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 437 15.446 -6.563 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 437 15.150 -4.971 -0.670 1.00 0.00 H new ATOM 706 N ASN A 438 14.277 -9.410 -0.797 1.00 0.00 N ATOM 707 CA ASN A 438 14.652 -10.088 -2.034 1.00 0.00 C ATOM 708 C ASN A 438 13.603 -9.795 -3.082 1.00 0.00 C ATOM 709 O ASN A 438 12.526 -10.393 -3.082 1.00 0.00 O ATOM 710 CB ASN A 438 14.787 -11.621 -1.870 1.00 0.00 C ATOM 711 CG ASN A 438 16.117 -12.104 -1.299 1.00 0.00 C ATOM 712 OD1 ASN A 438 16.166 -13.113 -0.600 1.00 0.00 O ATOM 713 ND2 ASN A 438 17.201 -11.446 -1.622 1.00 0.00 N ATOM 0 H ASN A 438 13.269 -9.364 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 438 15.631 -9.711 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 438 13.984 -11.972 -1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 438 14.638 -12.088 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 438 18.111 -11.769 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 438 17.136 -10.611 -2.204 1.00 0.00 H new ATOM 720 N LEU A 439 13.872 -8.805 -3.897 1.00 0.00 N ATOM 721 CA LEU A 439 13.023 -8.466 -5.012 1.00 0.00 C ATOM 722 C LEU A 439 13.819 -8.085 -6.236 1.00 0.00 C ATOM 723 O LEU A 439 14.892 -7.487 -6.119 1.00 0.00 O ATOM 724 CB LEU A 439 11.922 -7.390 -4.695 1.00 0.00 C ATOM 725 CG LEU A 439 12.267 -6.060 -3.924 1.00 0.00 C ATOM 726 CD1 LEU A 439 12.424 -6.308 -2.466 1.00 0.00 C ATOM 727 CD2 LEU A 439 13.510 -5.362 -4.439 1.00 0.00 C ATOM 0 H LEU A 439 14.693 -8.207 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 439 12.478 -9.385 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 439 11.481 -7.098 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 439 11.142 -7.894 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 439 11.419 -5.400 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 439 12.662 -5.372 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 439 11.495 -6.712 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 439 13.231 -7.023 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 439 13.684 -4.455 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 439 14.368 -6.027 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 439 13.373 -5.102 -5.489 1.00 0.00 H new ATOM 739 N LYS A 440 13.369 -8.487 -7.378 1.00 0.00 N ATOM 740 CA LYS A 440 13.892 -7.941 -8.588 1.00 0.00 C ATOM 741 C LYS A 440 12.819 -6.971 -9.084 1.00 0.00 C ATOM 742 O LYS A 440 11.769 -7.407 -9.561 1.00 0.00 O ATOM 743 CB LYS A 440 14.169 -9.055 -9.610 1.00 0.00 C ATOM 744 CG LYS A 440 15.048 -8.659 -10.801 1.00 0.00 C ATOM 745 CD LYS A 440 16.437 -8.216 -10.350 1.00 0.00 C ATOM 746 CE LYS A 440 17.426 -8.091 -11.516 1.00 0.00 C ATOM 747 NZ LYS A 440 16.997 -7.135 -12.558 1.00 0.00 N ATOM 0 H LYS A 440 12.641 -9.191 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 440 14.845 -7.433 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 440 14.644 -9.888 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 440 13.215 -9.419 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 440 15.139 -9.504 -11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 440 14.570 -7.851 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 440 16.360 -7.256 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 440 16.825 -8.932 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 440 18.396 -7.780 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 440 17.565 -9.072 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 17.832 -6.664 -12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 16.489 -7.645 -13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 16.368 -6.422 -12.137 1.00 0.00 H new ATOM 761 N THR A 441 13.064 -5.678 -8.969 1.00 0.00 N ATOM 762 CA THR A 441 12.069 -4.653 -9.314 1.00 0.00 C ATOM 763 C THR A 441 11.817 -4.563 -10.816 1.00 0.00 C ATOM 764 O THR A 441 10.852 -3.963 -11.279 1.00 0.00 O ATOM 765 CB THR A 441 12.464 -3.295 -8.723 1.00 0.00 C ATOM 766 OG1 THR A 441 13.876 -3.072 -8.927 1.00 0.00 O ATOM 767 CG2 THR A 441 12.146 -3.262 -7.240 1.00 0.00 C ATOM 0 H THR A 441 13.951 -5.300 -8.636 1.00 0.00 H new ATOM 0 HA THR A 441 11.123 -4.957 -8.866 1.00 0.00 H new ATOM 0 HB THR A 441 11.898 -2.508 -9.222 1.00 0.00 H new ATOM 0 HG1 THR A 441 14.121 -2.188 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 441 12.430 -2.293 -6.828 1.00 0.00 H new ATOM 0 HG22 THR A 441 11.077 -3.419 -7.093 1.00 0.00 H new ATOM 0 HG23 THR A 441 12.702 -4.049 -6.731 1.00 0.00 H new ATOM 775 N GLU A 442 12.679 -5.195 -11.554 1.00 0.00 N ATOM 776 CA GLU A 442 12.549 -5.334 -12.982 1.00 0.00 C ATOM 777 C GLU A 442 11.353 -6.257 -13.307 1.00 0.00 C ATOM 778 O GLU A 442 10.763 -6.174 -14.378 1.00 0.00 O ATOM 779 CB GLU A 442 13.850 -5.918 -13.498 1.00 0.00 C ATOM 780 CG GLU A 442 13.936 -6.176 -14.980 1.00 0.00 C ATOM 781 CD GLU A 442 15.248 -6.805 -15.304 1.00 0.00 C ATOM 782 OE1 GLU A 442 15.526 -7.906 -14.780 1.00 0.00 O ATOM 783 OE2 GLU A 442 16.053 -6.211 -16.033 1.00 0.00 O ATOM 0 H GLU A 442 13.514 -5.641 -11.175 1.00 0.00 H new ATOM 0 HA GLU A 442 12.360 -4.373 -13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 442 14.659 -5.241 -13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 442 14.030 -6.859 -12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 442 13.121 -6.829 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 442 13.824 -5.241 -15.529 1.00 0.00 H new ATOM 790 N GLN A 443 10.983 -7.095 -12.342 1.00 0.00 N ATOM 791 CA GLN A 443 9.870 -8.019 -12.504 1.00 0.00 C ATOM 792 C GLN A 443 8.647 -7.474 -11.730 1.00 0.00 C ATOM 793 O GLN A 443 7.639 -8.162 -11.515 1.00 0.00 O ATOM 794 CB GLN A 443 10.287 -9.417 -12.006 1.00 0.00 C ATOM 795 CG GLN A 443 9.312 -10.538 -12.362 1.00 0.00 C ATOM 796 CD GLN A 443 9.815 -11.919 -11.981 1.00 0.00 C ATOM 797 OE1 GLN A 443 9.501 -12.904 -12.635 1.00 0.00 O ATOM 798 NE2 GLN A 443 10.596 -12.011 -10.935 1.00 0.00 N ATOM 0 H GLN A 443 11.444 -7.151 -11.434 1.00 0.00 H new ATOM 0 HA GLN A 443 9.595 -8.109 -13.555 1.00 0.00 H new ATOM 0 HB2 GLN A 443 11.265 -9.659 -12.422 1.00 0.00 H new ATOM 0 HB3 GLN A 443 10.400 -9.383 -10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 443 8.361 -10.355 -11.861 1.00 0.00 H new ATOM 0 HG3 GLN A 443 9.118 -10.513 -13.434 1.00 0.00 H new ATOM 0 HE21 GLN A 443 10.842 -11.174 -10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 443 10.958 -12.920 -10.648 1.00 0.00 H new ATOM 807 N TRP A 444 8.751 -6.230 -11.324 1.00 0.00 N ATOM 808 CA TRP A 444 7.677 -5.554 -10.635 1.00 0.00 C ATOM 809 C TRP A 444 6.820 -4.786 -11.619 1.00 0.00 C ATOM 810 O TRP A 444 7.338 -4.234 -12.605 1.00 0.00 O ATOM 811 CB TRP A 444 8.209 -4.579 -9.572 1.00 0.00 C ATOM 812 CG TRP A 444 8.549 -5.197 -8.249 1.00 0.00 C ATOM 813 CD1 TRP A 444 9.037 -6.446 -8.011 1.00 0.00 C ATOM 814 CD2 TRP A 444 8.435 -4.560 -6.972 1.00 0.00 C ATOM 815 NE1 TRP A 444 9.214 -6.636 -6.661 1.00 0.00 N ATOM 816 CE2 TRP A 444 8.854 -5.486 -6.001 1.00 0.00 C ATOM 817 CE3 TRP A 444 8.012 -3.292 -6.559 1.00 0.00 C ATOM 818 CZ2 TRP A 444 8.863 -5.182 -4.638 1.00 0.00 C ATOM 819 CZ3 TRP A 444 8.024 -2.991 -5.211 1.00 0.00 C ATOM 820 CH2 TRP A 444 8.446 -3.934 -4.266 1.00 0.00 C ATOM 0 H TRP A 444 9.584 -5.658 -11.462 1.00 0.00 H new ATOM 0 HA TRP A 444 7.081 -6.320 -10.139 1.00 0.00 H new ATOM 0 HB2 TRP A 444 9.100 -4.089 -9.965 1.00 0.00 H new ATOM 0 HB3 TRP A 444 7.463 -3.801 -9.410 1.00 0.00 H new ATOM 0 HD1 TRP A 444 9.254 -7.181 -8.772 1.00 0.00 H new ATOM 0 HE1 TRP A 444 9.556 -7.490 -6.222 1.00 0.00 H new ATOM 0 HE3 TRP A 444 7.682 -2.561 -7.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 444 9.187 -5.906 -3.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 444 7.703 -2.014 -4.881 1.00 0.00 H new ATOM 0 HH2 TRP A 444 8.442 -3.670 -3.219 1.00 0.00 H new ATOM 831 N PRO A 445 5.502 -4.791 -11.428 1.00 0.00 N ATOM 832 CA PRO A 445 4.611 -3.954 -12.202 1.00 0.00 C ATOM 833 C PRO A 445 4.804 -2.499 -11.782 1.00 0.00 C ATOM 834 O PRO A 445 5.058 -2.220 -10.615 1.00 0.00 O ATOM 835 CB PRO A 445 3.202 -4.443 -11.807 1.00 0.00 C ATOM 836 CG PRO A 445 3.423 -5.741 -11.109 1.00 0.00 C ATOM 837 CD PRO A 445 4.767 -5.632 -10.473 1.00 0.00 C ATOM 0 HA PRO A 445 4.783 -4.012 -13.277 1.00 0.00 H new ATOM 0 HB2 PRO A 445 2.704 -3.725 -11.156 1.00 0.00 H new ATOM 0 HB3 PRO A 445 2.568 -4.570 -12.685 1.00 0.00 H new ATOM 0 HG2 PRO A 445 2.650 -5.921 -10.362 1.00 0.00 H new ATOM 0 HG3 PRO A 445 3.388 -6.574 -11.811 1.00 0.00 H new ATOM 0 HD2 PRO A 445 4.713 -5.173 -9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 445 5.236 -6.607 -10.346 1.00 0.00 H new ATOM 845 N GLN A 446 4.692 -1.591 -12.717 1.00 0.00 N ATOM 846 CA GLN A 446 4.883 -0.172 -12.441 1.00 0.00 C ATOM 847 C GLN A 446 3.625 0.447 -11.843 1.00 0.00 C ATOM 848 O GLN A 446 3.614 1.623 -11.466 1.00 0.00 O ATOM 849 CB GLN A 446 5.334 0.605 -13.697 1.00 0.00 C ATOM 850 CG GLN A 446 6.753 0.275 -14.193 1.00 0.00 C ATOM 851 CD GLN A 446 6.916 -1.139 -14.736 1.00 0.00 C ATOM 852 OE1 GLN A 446 5.973 -1.733 -15.285 1.00 0.00 O ATOM 853 NE2 GLN A 446 8.090 -1.690 -14.598 1.00 0.00 N ATOM 0 H GLN A 446 4.467 -1.802 -13.689 1.00 0.00 H new ATOM 0 HA GLN A 446 5.684 -0.095 -11.705 1.00 0.00 H new ATOM 0 HB2 GLN A 446 4.628 0.404 -14.503 1.00 0.00 H new ATOM 0 HB3 GLN A 446 5.279 1.673 -13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 446 7.026 0.985 -14.974 1.00 0.00 H new ATOM 0 HG3 GLN A 446 7.455 0.419 -13.371 1.00 0.00 H new ATOM 0 HE21 GLN A 446 8.844 -1.176 -14.143 1.00 0.00 H new ATOM 0 HE22 GLN A 446 8.254 -2.635 -14.946 1.00 0.00 H new ATOM 862 N LYS A 447 2.575 -0.350 -11.781 1.00 0.00 N ATOM 863 CA LYS A 447 1.312 0.034 -11.195 1.00 0.00 C ATOM 864 C LYS A 447 0.877 -0.999 -10.183 1.00 0.00 C ATOM 865 O LYS A 447 0.705 -2.182 -10.532 1.00 0.00 O ATOM 866 CB LYS A 447 0.241 0.131 -12.254 1.00 0.00 C ATOM 867 CG LYS A 447 0.419 1.258 -13.216 1.00 0.00 C ATOM 868 CD LYS A 447 -0.619 1.170 -14.284 1.00 0.00 C ATOM 869 CE LYS A 447 -0.569 2.351 -15.188 1.00 0.00 C ATOM 870 NZ LYS A 447 -1.003 3.577 -14.502 1.00 0.00 N ATOM 0 H LYS A 447 2.580 -1.303 -12.146 1.00 0.00 H new ATOM 0 HA LYS A 447 1.447 1.004 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 447 0.214 -0.805 -12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.727 0.238 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.339 2.212 -12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 447 1.415 1.219 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.470 0.259 -14.864 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -1.607 1.100 -13.829 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.447 2.482 -15.560 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.206 2.174 -16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.613 4.132 -15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -1.534 3.325 -13.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.170 4.142 -14.241 1.00 0.00 H new ATOM 884 N LEU A 448 0.714 -0.581 -8.958 1.00 0.00 N ATOM 885 CA LEU A 448 0.257 -1.457 -7.893 1.00 0.00 C ATOM 886 C LEU A 448 -1.082 -0.956 -7.393 1.00 0.00 C ATOM 887 O LEU A 448 -1.322 0.257 -7.403 1.00 0.00 O ATOM 888 CB LEU A 448 1.265 -1.493 -6.749 1.00 0.00 C ATOM 889 CG LEU A 448 2.692 -1.897 -7.104 1.00 0.00 C ATOM 890 CD1 LEU A 448 3.558 -1.912 -5.867 1.00 0.00 C ATOM 891 CD2 LEU A 448 2.725 -3.235 -7.819 1.00 0.00 C ATOM 0 H LEU A 448 0.893 0.378 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 448 0.155 -2.471 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 448 1.295 -0.504 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 448 0.895 -2.183 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 448 3.096 -1.154 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.573 -2.202 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.572 -0.918 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 448 3.155 -2.627 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 448 3.756 -3.494 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.298 -4.003 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 448 2.144 -3.170 -8.739 1.00 0.00 H new ATOM 903 N ILE A 449 -1.946 -1.858 -6.968 1.00 0.00 N ATOM 904 CA ILE A 449 -3.292 -1.481 -6.559 1.00 0.00 C ATOM 905 C ILE A 449 -3.371 -1.376 -5.038 1.00 0.00 C ATOM 906 O ILE A 449 -3.059 -2.327 -4.324 1.00 0.00 O ATOM 907 CB ILE A 449 -4.354 -2.504 -7.073 1.00 0.00 C ATOM 908 CG1 ILE A 449 -4.294 -2.640 -8.612 1.00 0.00 C ATOM 909 CG2 ILE A 449 -5.770 -2.118 -6.619 1.00 0.00 C ATOM 910 CD1 ILE A 449 -4.554 -1.351 -9.377 1.00 0.00 C ATOM 0 H ILE A 449 -1.744 -2.855 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 449 -3.513 -0.510 -7.003 1.00 0.00 H new ATOM 0 HB ILE A 449 -4.114 -3.473 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 449 -3.311 -3.020 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 449 -5.025 -3.386 -8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 449 -6.485 -2.851 -6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 449 -5.810 -2.096 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 449 -6.022 -1.132 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 449 -4.491 -1.544 -10.448 1.00 0.00 H new ATOM 0 HD12 ILE A 449 -5.549 -0.978 -9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 449 -3.809 -0.606 -9.099 1.00 0.00 H new ATOM 922 N MET A 450 -3.771 -0.230 -4.553 1.00 0.00 N ATOM 923 CA MET A 450 -3.886 -0.008 -3.126 1.00 0.00 C ATOM 924 C MET A 450 -5.343 0.185 -2.711 1.00 0.00 C ATOM 925 O MET A 450 -6.111 0.890 -3.380 1.00 0.00 O ATOM 926 CB MET A 450 -3.027 1.188 -2.674 1.00 0.00 C ATOM 927 CG MET A 450 -3.101 1.469 -1.174 1.00 0.00 C ATOM 928 SD MET A 450 -2.029 2.820 -0.625 1.00 0.00 S ATOM 929 CE MET A 450 -2.689 4.207 -1.544 1.00 0.00 C ATOM 0 H MET A 450 -4.026 0.574 -5.127 1.00 0.00 H new ATOM 0 HA MET A 450 -3.509 -0.900 -2.626 1.00 0.00 H new ATOM 0 HB2 MET A 450 -1.989 1.002 -2.948 1.00 0.00 H new ATOM 0 HB3 MET A 450 -3.346 2.078 -3.217 1.00 0.00 H new ATOM 0 HG2 MET A 450 -4.132 1.706 -0.909 1.00 0.00 H new ATOM 0 HG3 MET A 450 -2.833 0.563 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 450 -2.493 5.131 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 450 -2.212 4.255 -2.523 1.00 0.00 H new ATOM 0 HE3 MET A 450 -3.764 4.081 -1.670 1.00 0.00 H new ATOM 939 N GLN A 451 -5.718 -0.465 -1.633 1.00 0.00 N ATOM 940 CA GLN A 451 -7.043 -0.354 -1.074 1.00 0.00 C ATOM 941 C GLN A 451 -6.907 0.233 0.329 1.00 0.00 C ATOM 942 O GLN A 451 -6.064 -0.228 1.114 1.00 0.00 O ATOM 943 CB GLN A 451 -7.692 -1.745 -0.997 1.00 0.00 C ATOM 944 CG GLN A 451 -9.188 -1.732 -0.697 1.00 0.00 C ATOM 945 CD GLN A 451 -10.001 -1.103 -1.819 1.00 0.00 C ATOM 946 OE1 GLN A 451 -11.056 -0.509 -1.593 1.00 0.00 O ATOM 947 NE2 GLN A 451 -9.540 -1.254 -3.040 1.00 0.00 N ATOM 0 H GLN A 451 -5.103 -1.093 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 451 -7.669 0.285 -1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 451 -7.529 -2.260 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 451 -7.185 -2.326 -0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 451 -9.531 -2.753 -0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 451 -9.365 -1.183 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 451 -8.663 -1.751 -3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 451 -10.059 -0.874 -3.832 1.00 0.00 H new ATOM 956 N LEU A 452 -7.685 1.237 0.631 1.00 0.00 N ATOM 957 CA LEU A 452 -7.628 1.889 1.929 1.00 0.00 C ATOM 958 C LEU A 452 -8.536 1.161 2.918 1.00 0.00 C ATOM 959 O LEU A 452 -9.722 0.970 2.654 1.00 0.00 O ATOM 960 CB LEU A 452 -8.013 3.389 1.824 1.00 0.00 C ATOM 961 CG LEU A 452 -7.091 4.316 0.980 1.00 0.00 C ATOM 962 CD1 LEU A 452 -5.641 4.232 1.432 1.00 0.00 C ATOM 963 CD2 LEU A 452 -7.219 4.062 -0.525 1.00 0.00 C ATOM 0 H LEU A 452 -8.377 1.631 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 452 -6.602 1.841 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -9.019 3.449 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -8.061 3.794 2.835 1.00 0.00 H new ATOM 0 HG LEU A 452 -7.437 5.334 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -5.030 4.894 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -5.567 4.535 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -5.286 3.207 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -6.554 4.736 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -6.946 3.030 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -8.248 4.240 -0.838 1.00 0.00 H new ATOM 975 N ILE A 453 -7.968 0.754 4.034 1.00 0.00 N ATOM 976 CA ILE A 453 -8.669 -0.031 5.050 1.00 0.00 C ATOM 977 C ILE A 453 -8.386 0.538 6.446 1.00 0.00 C ATOM 978 O ILE A 453 -7.434 1.277 6.610 1.00 0.00 O ATOM 979 CB ILE A 453 -8.192 -1.509 5.014 1.00 0.00 C ATOM 980 CG1 ILE A 453 -6.652 -1.581 5.128 1.00 0.00 C ATOM 981 CG2 ILE A 453 -8.694 -2.219 3.762 1.00 0.00 C ATOM 982 CD1 ILE A 453 -6.087 -2.981 5.159 1.00 0.00 C ATOM 0 H ILE A 453 -6.997 0.957 4.271 1.00 0.00 H new ATOM 0 HA ILE A 453 -9.737 0.017 4.838 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.618 -2.029 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -6.213 -1.045 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -6.343 -1.059 6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -8.344 -3.251 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -9.784 -2.205 3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -8.313 -1.709 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -5.001 -2.933 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -6.492 -3.518 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -6.360 -3.504 4.242 1.00 0.00 H new ATOM 994 N PRO A 454 -9.224 0.246 7.464 1.00 0.00 N ATOM 995 CA PRO A 454 -8.959 0.693 8.841 1.00 0.00 C ATOM 996 C PRO A 454 -7.679 0.063 9.418 1.00 0.00 C ATOM 997 O PRO A 454 -7.506 -1.163 9.400 1.00 0.00 O ATOM 998 CB PRO A 454 -10.175 0.187 9.630 1.00 0.00 C ATOM 999 CG PRO A 454 -11.224 -0.072 8.611 1.00 0.00 C ATOM 1000 CD PRO A 454 -10.505 -0.461 7.351 1.00 0.00 C ATOM 0 HA PRO A 454 -8.814 1.772 8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 454 -9.934 -0.719 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 454 -10.508 0.928 10.357 1.00 0.00 H new ATOM 0 HG2 PRO A 454 -11.894 -0.867 8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 454 -11.837 0.815 8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 454 -10.365 -1.540 7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 454 -11.057 -0.155 6.462 1.00 0.00 H new ATOM 1008 N GLN A 455 -6.812 0.911 9.958 1.00 0.00 N ATOM 1009 CA GLN A 455 -5.546 0.500 10.565 1.00 0.00 C ATOM 1010 C GLN A 455 -5.777 -0.388 11.792 1.00 0.00 C ATOM 1011 O GLN A 455 -4.967 -1.254 12.105 1.00 0.00 O ATOM 1012 CB GLN A 455 -4.732 1.733 10.959 1.00 0.00 C ATOM 1013 CG GLN A 455 -3.377 1.434 11.583 1.00 0.00 C ATOM 1014 CD GLN A 455 -2.660 2.678 12.075 1.00 0.00 C ATOM 1015 OE1 GLN A 455 -1.429 2.737 12.075 1.00 0.00 O ATOM 1016 NE2 GLN A 455 -3.401 3.651 12.544 1.00 0.00 N ATOM 0 H GLN A 455 -6.968 1.919 9.988 1.00 0.00 H new ATOM 0 HA GLN A 455 -4.992 -0.081 9.828 1.00 0.00 H new ATOM 0 HB2 GLN A 455 -4.579 2.348 10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 455 -5.316 2.327 11.662 1.00 0.00 H new ATOM 0 HG2 GLN A 455 -3.512 0.746 12.417 1.00 0.00 H new ATOM 0 HG3 GLN A 455 -2.750 0.927 10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 455 -4.418 3.570 12.529 1.00 0.00 H new ATOM 0 HE22 GLN A 455 -2.961 4.489 12.924 1.00 0.00 H new ATOM 1025 N GLN A 456 -6.898 -0.174 12.466 1.00 0.00 N ATOM 1026 CA GLN A 456 -7.229 -0.902 13.685 1.00 0.00 C ATOM 1027 C GLN A 456 -7.262 -2.409 13.457 1.00 0.00 C ATOM 1028 O GLN A 456 -6.705 -3.191 14.247 1.00 0.00 O ATOM 1029 CB GLN A 456 -8.586 -0.448 14.224 1.00 0.00 C ATOM 1030 CG GLN A 456 -9.022 -1.188 15.482 1.00 0.00 C ATOM 1031 CD GLN A 456 -10.403 -0.803 15.942 1.00 0.00 C ATOM 1032 OE1 GLN A 456 -10.851 0.320 15.740 1.00 0.00 O ATOM 1033 NE2 GLN A 456 -11.081 -1.715 16.569 1.00 0.00 N ATOM 0 H GLN A 456 -7.603 0.507 12.185 1.00 0.00 H new ATOM 0 HA GLN A 456 -6.447 -0.681 14.411 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -8.544 0.620 14.437 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -9.340 -0.589 13.450 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -8.994 -2.261 15.294 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.309 -0.986 16.281 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -10.676 -2.639 16.719 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -12.019 -1.508 16.912 1.00 0.00 H new ATOM 1042 N LEU A 457 -7.820 -2.794 12.340 1.00 0.00 N ATOM 1043 CA LEU A 457 -8.058 -4.188 12.016 1.00 0.00 C ATOM 1044 C LEU A 457 -6.776 -4.891 11.594 1.00 0.00 C ATOM 1045 O LEU A 457 -6.730 -6.126 11.488 1.00 0.00 O ATOM 1046 CB LEU A 457 -9.091 -4.264 10.907 1.00 0.00 C ATOM 1047 CG LEU A 457 -10.423 -3.569 11.194 1.00 0.00 C ATOM 1048 CD1 LEU A 457 -11.331 -3.628 9.985 1.00 0.00 C ATOM 1049 CD2 LEU A 457 -11.104 -4.187 12.403 1.00 0.00 C ATOM 0 H LEU A 457 -8.128 -2.145 11.616 1.00 0.00 H new ATOM 0 HA LEU A 457 -8.427 -4.697 12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -8.662 -3.828 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -9.289 -5.314 10.691 1.00 0.00 H new ATOM 0 HG LEU A 457 -10.216 -2.522 11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -12.272 -3.128 10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -10.849 -3.130 9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -11.526 -4.669 9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -12.049 -3.677 12.588 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -11.293 -5.244 12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -10.459 -4.084 13.276 1.00 0.00 H new ATOM 1061 N LEU A 458 -5.724 -4.111 11.416 1.00 0.00 N ATOM 1062 CA LEU A 458 -4.447 -4.610 10.960 1.00 0.00 C ATOM 1063 C LEU A 458 -3.761 -5.462 12.030 1.00 0.00 C ATOM 1064 O LEU A 458 -2.859 -6.244 11.725 1.00 0.00 O ATOM 1065 CB LEU A 458 -3.545 -3.449 10.529 1.00 0.00 C ATOM 1066 CG LEU A 458 -2.190 -3.824 9.948 1.00 0.00 C ATOM 1067 CD1 LEU A 458 -2.375 -4.673 8.707 1.00 0.00 C ATOM 1068 CD2 LEU A 458 -1.379 -2.577 9.638 1.00 0.00 C ATOM 0 H LEU A 458 -5.737 -3.105 11.587 1.00 0.00 H new ATOM 0 HA LEU A 458 -4.627 -5.252 10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 458 -4.082 -2.856 9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 458 -3.380 -2.806 11.393 1.00 0.00 H new ATOM 0 HG LEU A 458 -1.639 -4.407 10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 458 -1.400 -4.937 8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 458 -2.918 -5.582 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 458 -2.941 -4.112 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 458 -0.413 -2.865 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 458 -1.916 -1.964 8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 458 -1.225 -2.006 10.554 1.00 0.00 H new ATOM 1080 N THR A 459 -4.214 -5.347 13.275 1.00 0.00 N ATOM 1081 CA THR A 459 -3.633 -6.107 14.367 1.00 0.00 C ATOM 1082 C THR A 459 -3.768 -7.639 14.125 1.00 0.00 C ATOM 1083 O THR A 459 -2.925 -8.431 14.565 1.00 0.00 O ATOM 1084 CB THR A 459 -4.224 -5.690 15.746 1.00 0.00 C ATOM 1085 OG1 THR A 459 -3.525 -6.351 16.815 1.00 0.00 O ATOM 1086 CG2 THR A 459 -5.683 -6.031 15.815 1.00 0.00 C ATOM 0 H THR A 459 -4.982 -4.734 13.549 1.00 0.00 H new ATOM 0 HA THR A 459 -2.569 -5.870 14.394 1.00 0.00 H new ATOM 0 HB THR A 459 -4.103 -4.612 15.855 1.00 0.00 H new ATOM 0 HG1 THR A 459 -3.908 -6.077 17.675 1.00 0.00 H new ATOM 0 HG21 THR A 459 -6.081 -5.733 16.785 1.00 0.00 H new ATOM 0 HG22 THR A 459 -6.218 -5.503 15.026 1.00 0.00 H new ATOM 0 HG23 THR A 459 -5.812 -7.105 15.684 1.00 0.00 H new ATOM 1094 N THR A 460 -4.767 -8.020 13.336 1.00 0.00 N ATOM 1095 CA THR A 460 -5.043 -9.405 13.009 1.00 0.00 C ATOM 1096 C THR A 460 -3.953 -9.971 12.049 1.00 0.00 C ATOM 1097 O THR A 460 -3.740 -11.175 11.959 1.00 0.00 O ATOM 1098 CB THR A 460 -6.423 -9.470 12.327 1.00 0.00 C ATOM 1099 OG1 THR A 460 -7.341 -8.617 13.058 1.00 0.00 O ATOM 1100 CG2 THR A 460 -6.971 -10.895 12.305 1.00 0.00 C ATOM 0 H THR A 460 -5.414 -7.362 12.902 1.00 0.00 H new ATOM 0 HA THR A 460 -5.036 -10.006 13.918 1.00 0.00 H new ATOM 0 HB THR A 460 -6.317 -9.135 11.295 1.00 0.00 H new ATOM 0 HG1 THR A 460 -7.350 -7.724 12.654 1.00 0.00 H new ATOM 0 HG21 THR A 460 -7.945 -10.903 11.817 1.00 0.00 H new ATOM 0 HG22 THR A 460 -6.285 -11.540 11.756 1.00 0.00 H new ATOM 0 HG23 THR A 460 -7.074 -11.261 13.327 1.00 0.00 H new ATOM 1108 N LEU A 461 -3.231 -9.078 11.387 1.00 0.00 N ATOM 1109 CA LEU A 461 -2.224 -9.464 10.391 1.00 0.00 C ATOM 1110 C LEU A 461 -0.842 -9.512 10.994 1.00 0.00 C ATOM 1111 O LEU A 461 0.145 -9.754 10.299 1.00 0.00 O ATOM 1112 CB LEU A 461 -2.224 -8.499 9.216 1.00 0.00 C ATOM 1113 CG LEU A 461 -3.405 -8.550 8.248 1.00 0.00 C ATOM 1114 CD1 LEU A 461 -3.555 -9.926 7.633 1.00 0.00 C ATOM 1115 CD2 LEU A 461 -4.717 -8.075 8.867 1.00 0.00 C ATOM 0 H LEU A 461 -3.321 -8.071 11.519 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.489 -10.461 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 461 -2.162 -7.487 9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -1.314 -8.671 8.642 1.00 0.00 H new ATOM 0 HG LEU A 461 -3.172 -7.842 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -4.404 -9.928 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -2.648 -10.181 7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -3.722 -10.661 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -5.513 -8.137 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -4.966 -8.706 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -4.610 -7.042 9.198 1.00 0.00 H new ATOM 1127 N GLY A 462 -0.809 -9.294 12.281 1.00 0.00 N ATOM 1128 CA GLY A 462 0.428 -9.291 13.089 1.00 0.00 C ATOM 1129 C GLY A 462 1.461 -10.388 12.734 1.00 0.00 C ATOM 1130 O GLY A 462 2.628 -10.061 12.470 1.00 0.00 O ATOM 0 H GLY A 462 -1.648 -9.107 12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 462 0.907 -8.318 12.983 1.00 0.00 H new ATOM 0 HA3 GLY A 462 0.155 -9.400 14.139 1.00 0.00 H new ATOM 1134 N PRO A 463 1.074 -11.695 12.718 1.00 0.00 N ATOM 1135 CA PRO A 463 1.995 -12.803 12.374 1.00 0.00 C ATOM 1136 C PRO A 463 2.638 -12.699 10.965 1.00 0.00 C ATOM 1137 O PRO A 463 3.682 -13.303 10.713 1.00 0.00 O ATOM 1138 CB PRO A 463 1.109 -14.055 12.457 1.00 0.00 C ATOM 1139 CG PRO A 463 -0.292 -13.551 12.429 1.00 0.00 C ATOM 1140 CD PRO A 463 -0.258 -12.218 13.101 1.00 0.00 C ATOM 0 HA PRO A 463 2.849 -12.803 13.051 1.00 0.00 H new ATOM 0 HB2 PRO A 463 1.301 -14.728 11.622 1.00 0.00 H new ATOM 0 HB3 PRO A 463 1.306 -14.616 13.370 1.00 0.00 H new ATOM 0 HG2 PRO A 463 -0.656 -13.464 11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 463 -0.964 -14.234 12.949 1.00 0.00 H new ATOM 0 HD2 PRO A 463 -1.063 -11.569 12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 463 -0.363 -12.307 14.182 1.00 0.00 H new ATOM 1148 N LEU A 464 2.036 -11.937 10.063 1.00 0.00 N ATOM 1149 CA LEU A 464 2.565 -11.807 8.698 1.00 0.00 C ATOM 1150 C LEU A 464 3.783 -10.904 8.674 1.00 0.00 C ATOM 1151 O LEU A 464 4.767 -11.176 7.979 1.00 0.00 O ATOM 1152 CB LEU A 464 1.504 -11.281 7.701 1.00 0.00 C ATOM 1153 CG LEU A 464 0.365 -12.233 7.281 1.00 0.00 C ATOM 1154 CD1 LEU A 464 0.907 -13.509 6.663 1.00 0.00 C ATOM 1155 CD2 LEU A 464 -0.592 -12.534 8.421 1.00 0.00 C ATOM 0 H LEU A 464 1.187 -11.400 10.242 1.00 0.00 H new ATOM 0 HA LEU A 464 2.852 -12.809 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 464 1.051 -10.390 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 464 2.024 -10.965 6.797 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.212 -11.710 6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 464 0.078 -14.157 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 464 1.495 -13.264 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 464 1.538 -14.024 7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -1.374 -13.208 8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -0.047 -13.004 9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -1.043 -11.606 8.772 1.00 0.00 H new ATOM 1167 N PHE A 465 3.737 -9.875 9.496 1.00 0.00 N ATOM 1168 CA PHE A 465 4.785 -8.868 9.568 1.00 0.00 C ATOM 1169 C PHE A 465 6.086 -9.407 10.157 1.00 0.00 C ATOM 1170 O PHE A 465 7.125 -8.746 10.093 1.00 0.00 O ATOM 1171 CB PHE A 465 4.301 -7.615 10.302 1.00 0.00 C ATOM 1172 CG PHE A 465 3.217 -6.876 9.559 1.00 0.00 C ATOM 1173 CD1 PHE A 465 1.883 -7.012 9.907 1.00 0.00 C ATOM 1174 CD2 PHE A 465 3.539 -6.051 8.498 1.00 0.00 C ATOM 1175 CE1 PHE A 465 0.905 -6.342 9.214 1.00 0.00 C ATOM 1176 CE2 PHE A 465 2.566 -5.381 7.805 1.00 0.00 C ATOM 1177 CZ PHE A 465 1.248 -5.525 8.161 1.00 0.00 C ATOM 0 H PHE A 465 2.964 -9.710 10.141 1.00 0.00 H new ATOM 0 HA PHE A 465 5.017 -8.583 8.542 1.00 0.00 H new ATOM 0 HB2 PHE A 465 3.930 -7.899 11.287 1.00 0.00 H new ATOM 0 HB3 PHE A 465 5.146 -6.945 10.461 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.609 -7.652 10.733 1.00 0.00 H new ATOM 0 HD2 PHE A 465 4.573 -5.933 8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.132 -6.456 9.495 1.00 0.00 H new ATOM 0 HE2 PHE A 465 2.836 -4.740 6.979 1.00 0.00 H new ATOM 0 HZ PHE A 465 0.480 -4.997 7.615 1.00 0.00 H new ATOM 1187 N ARG A 466 6.014 -10.591 10.761 1.00 0.00 N ATOM 1188 CA ARG A 466 7.184 -11.246 11.343 1.00 0.00 C ATOM 1189 C ARG A 466 8.240 -11.542 10.262 1.00 0.00 C ATOM 1190 O ARG A 466 9.451 -11.441 10.511 1.00 0.00 O ATOM 1191 CB ARG A 466 6.784 -12.532 12.079 1.00 0.00 C ATOM 1192 CG ARG A 466 5.799 -12.323 13.231 1.00 0.00 C ATOM 1193 CD ARG A 466 6.342 -11.352 14.271 1.00 0.00 C ATOM 1194 NE ARG A 466 5.427 -11.171 15.408 1.00 0.00 N ATOM 1195 CZ ARG A 466 5.528 -10.174 16.313 1.00 0.00 C ATOM 1196 NH1 ARG A 466 6.503 -9.268 16.204 1.00 0.00 N ATOM 1197 NH2 ARG A 466 4.663 -10.083 17.319 1.00 0.00 N ATOM 0 H ARG A 466 5.148 -11.121 10.861 1.00 0.00 H new ATOM 0 HA ARG A 466 7.624 -10.564 12.070 1.00 0.00 H new ATOM 0 HB2 ARG A 466 6.343 -13.224 11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 466 7.684 -13.008 12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 466 4.855 -11.944 12.838 1.00 0.00 H new ATOM 0 HG3 ARG A 466 5.585 -13.281 13.705 1.00 0.00 H new ATOM 0 HD2 ARG A 466 7.302 -11.716 14.636 1.00 0.00 H new ATOM 0 HD3 ARG A 466 6.526 -10.386 13.800 1.00 0.00 H new ATOM 0 HE ARG A 466 4.667 -11.842 15.520 1.00 0.00 H new ATOM 0 HH11 ARG A 466 7.172 -9.329 15.437 1.00 0.00 H new ATOM 0 HH12 ARG A 466 6.578 -8.515 16.888 1.00 0.00 H new ATOM 0 HH21 ARG A 466 3.915 -10.770 17.412 1.00 0.00 H new ATOM 0 HH22 ARG A 466 4.748 -9.326 17.998 1.00 0.00 H new ATOM 1211 N ASN A 467 7.780 -11.891 9.069 1.00 0.00 N ATOM 1212 CA ASN A 467 8.666 -12.105 7.927 1.00 0.00 C ATOM 1213 C ASN A 467 8.265 -11.209 6.810 1.00 0.00 C ATOM 1214 O ASN A 467 7.400 -11.540 5.984 1.00 0.00 O ATOM 1215 CB ASN A 467 8.754 -13.565 7.447 1.00 0.00 C ATOM 1216 CG ASN A 467 9.585 -14.447 8.354 1.00 0.00 C ATOM 1217 OD1 ASN A 467 9.065 -15.088 9.274 1.00 0.00 O ATOM 1218 ND2 ASN A 467 10.877 -14.494 8.109 1.00 0.00 N ATOM 0 H ASN A 467 6.791 -12.034 8.863 1.00 0.00 H new ATOM 0 HA ASN A 467 9.671 -11.860 8.272 1.00 0.00 H new ATOM 0 HB2 ASN A 467 7.748 -13.977 7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 467 9.180 -13.585 6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 467 11.485 -15.074 8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 467 11.270 -13.951 7.340 1.00 0.00 H new ATOM 1225 N SER A 468 8.827 -10.048 6.821 1.00 0.00 N ATOM 1226 CA SER A 468 8.544 -9.057 5.852 1.00 0.00 C ATOM 1227 C SER A 468 9.808 -8.281 5.544 1.00 0.00 C ATOM 1228 O SER A 468 10.770 -8.304 6.315 1.00 0.00 O ATOM 1229 CB SER A 468 7.459 -8.116 6.371 1.00 0.00 C ATOM 1230 OG SER A 468 6.262 -8.817 6.671 1.00 0.00 O ATOM 0 H SER A 468 9.510 -9.760 7.521 1.00 0.00 H new ATOM 0 HA SER A 468 8.184 -9.532 4.939 1.00 0.00 H new ATOM 0 HB2 SER A 468 7.816 -7.605 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 468 7.255 -7.348 5.625 1.00 0.00 H new ATOM 0 HG SER A 468 5.566 -8.567 6.027 1.00 0.00 H new ATOM 1236 N ARG A 469 9.796 -7.643 4.430 1.00 0.00 N ATOM 1237 CA ARG A 469 10.877 -6.812 3.940 1.00 0.00 C ATOM 1238 C ARG A 469 10.390 -5.391 3.978 1.00 0.00 C ATOM 1239 O ARG A 469 9.197 -5.155 3.719 1.00 0.00 O ATOM 1240 CB ARG A 469 11.279 -7.234 2.535 1.00 0.00 C ATOM 1241 CG ARG A 469 10.146 -7.165 1.534 1.00 0.00 C ATOM 1242 CD ARG A 469 10.567 -7.658 0.184 1.00 0.00 C ATOM 1243 NE ARG A 469 9.495 -7.523 -0.804 1.00 0.00 N ATOM 1244 CZ ARG A 469 9.339 -8.301 -1.881 1.00 0.00 C ATOM 1245 NH1 ARG A 469 10.109 -9.371 -2.052 1.00 0.00 N ATOM 1246 NH2 ARG A 469 8.387 -8.026 -2.770 1.00 0.00 N ATOM 0 H ARG A 469 9.001 -7.677 3.792 1.00 0.00 H new ATOM 0 HA ARG A 469 11.768 -6.917 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 469 12.094 -6.597 2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 469 11.663 -8.254 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 469 9.307 -7.761 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 469 9.795 -6.136 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 469 11.441 -7.100 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 469 10.865 -8.704 0.256 1.00 0.00 H new ATOM 0 HE ARG A 469 8.814 -6.778 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 469 10.822 -9.602 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 469 9.986 -9.961 -2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 469 7.776 -7.221 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 469 8.269 -8.620 -3.591 1.00 0.00 H new ATOM 1260 N MET A 470 11.226 -4.445 4.327 1.00 0.00 N ATOM 1261 CA MET A 470 10.700 -3.135 4.560 1.00 0.00 C ATOM 1262 C MET A 470 10.875 -2.236 3.373 1.00 0.00 C ATOM 1263 O MET A 470 11.733 -2.453 2.550 1.00 0.00 O ATOM 1264 CB MET A 470 11.359 -2.524 5.752 1.00 0.00 C ATOM 1265 CG MET A 470 11.046 -3.179 7.057 1.00 0.00 C ATOM 1266 SD MET A 470 11.621 -2.202 8.458 1.00 0.00 S ATOM 1267 CE MET A 470 10.660 -0.690 8.218 1.00 0.00 C ATOM 0 H MET A 470 12.233 -4.554 4.451 1.00 0.00 H new ATOM 0 HA MET A 470 9.630 -3.243 4.740 1.00 0.00 H new ATOM 0 HB2 MET A 470 12.438 -2.547 5.602 1.00 0.00 H new ATOM 0 HB3 MET A 470 11.067 -1.475 5.811 1.00 0.00 H new ATOM 0 HG2 MET A 470 9.970 -3.330 7.138 1.00 0.00 H new ATOM 0 HG3 MET A 470 11.509 -4.165 7.088 1.00 0.00 H new ATOM 0 HE1 MET A 470 10.359 -0.293 9.187 1.00 0.00 H new ATOM 0 HE2 MET A 470 11.268 0.049 7.696 1.00 0.00 H new ATOM 0 HE3 MET A 470 9.773 -0.913 7.626 1.00 0.00 H new ATOM 1277 N VAL A 471 9.996 -1.274 3.265 1.00 0.00 N ATOM 1278 CA VAL A 471 10.007 -0.300 2.205 1.00 0.00 C ATOM 1279 C VAL A 471 9.799 1.092 2.788 1.00 0.00 C ATOM 1280 O VAL A 471 9.363 1.242 3.950 1.00 0.00 O ATOM 1281 CB VAL A 471 8.879 -0.559 1.154 1.00 0.00 C ATOM 1282 CG1 VAL A 471 8.969 -1.941 0.549 1.00 0.00 C ATOM 1283 CG2 VAL A 471 7.524 -0.348 1.768 1.00 0.00 C ATOM 0 H VAL A 471 9.233 -1.143 3.929 1.00 0.00 H new ATOM 0 HA VAL A 471 10.973 -0.380 1.706 1.00 0.00 H new ATOM 0 HB VAL A 471 9.022 0.161 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 471 8.165 -2.074 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 471 9.931 -2.057 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 471 8.876 -2.689 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 471 6.753 -0.533 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 471 7.392 -1.036 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 471 7.443 0.678 2.126 1.00 0.00 H new ATOM 1293 N GLN A 472 10.139 2.076 2.021 1.00 0.00 N ATOM 1294 CA GLN A 472 9.880 3.445 2.345 1.00 0.00 C ATOM 1295 C GLN A 472 9.303 4.098 1.128 1.00 0.00 C ATOM 1296 O GLN A 472 9.914 4.069 0.056 1.00 0.00 O ATOM 1297 CB GLN A 472 11.137 4.199 2.782 1.00 0.00 C ATOM 1298 CG GLN A 472 10.862 5.667 3.124 1.00 0.00 C ATOM 1299 CD GLN A 472 12.099 6.444 3.517 1.00 0.00 C ATOM 1300 OE1 GLN A 472 13.042 5.899 4.076 1.00 0.00 O ATOM 1301 NE2 GLN A 472 12.104 7.719 3.229 1.00 0.00 N ATOM 0 H GLN A 472 10.617 1.949 1.129 1.00 0.00 H new ATOM 0 HA GLN A 472 9.190 3.476 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 472 11.568 3.703 3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 472 11.880 4.149 1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 472 10.399 6.150 2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 472 10.142 5.711 3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 472 11.300 8.140 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 472 12.912 8.293 3.471 1.00 0.00 H new ATOM 1310 N PHE A 473 8.150 4.651 1.283 1.00 0.00 N ATOM 1311 CA PHE A 473 7.476 5.328 0.223 1.00 0.00 C ATOM 1312 C PHE A 473 7.505 6.805 0.457 1.00 0.00 C ATOM 1313 O PHE A 473 7.293 7.288 1.590 1.00 0.00 O ATOM 1314 CB PHE A 473 6.017 4.872 0.096 1.00 0.00 C ATOM 1315 CG PHE A 473 5.786 3.622 -0.698 1.00 0.00 C ATOM 1316 CD1 PHE A 473 5.159 3.695 -1.927 1.00 0.00 C ATOM 1317 CD2 PHE A 473 6.172 2.385 -0.224 1.00 0.00 C ATOM 1318 CE1 PHE A 473 4.924 2.559 -2.670 1.00 0.00 C ATOM 1319 CE2 PHE A 473 5.939 1.248 -0.969 1.00 0.00 C ATOM 1320 CZ PHE A 473 5.315 1.336 -2.192 1.00 0.00 C ATOM 0 H PHE A 473 7.637 4.647 2.165 1.00 0.00 H new ATOM 0 HA PHE A 473 7.997 5.083 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 473 5.616 4.721 1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 473 5.443 5.679 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 473 4.849 4.656 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 473 6.660 2.307 0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 473 4.432 2.632 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 473 6.248 0.285 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 473 5.134 0.444 -2.773 1.00 0.00 H new ATOM 1330 N HIS A 474 7.815 7.512 -0.567 1.00 0.00 N ATOM 1331 CA HIS A 474 7.737 8.932 -0.553 1.00 0.00 C ATOM 1332 C HIS A 474 7.049 9.328 -1.832 1.00 0.00 C ATOM 1333 O HIS A 474 7.477 8.934 -2.907 1.00 0.00 O ATOM 1334 CB HIS A 474 9.134 9.569 -0.461 1.00 0.00 C ATOM 1335 CG HIS A 474 9.101 11.056 -0.244 1.00 0.00 C ATOM 1336 ND1 HIS A 474 9.305 11.989 -1.237 1.00 0.00 N ATOM 1337 CD2 HIS A 474 8.878 11.764 0.889 1.00 0.00 C ATOM 1338 CE1 HIS A 474 9.204 13.201 -0.698 1.00 0.00 C ATOM 1339 NE2 HIS A 474 8.944 13.124 0.598 1.00 0.00 N ATOM 0 H HIS A 474 8.135 7.119 -1.452 1.00 0.00 H new ATOM 0 HA HIS A 474 7.185 9.282 0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 474 9.684 9.103 0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 474 9.683 9.356 -1.378 1.00 0.00 H new ATOM 0 HD2 HIS A 474 8.680 11.341 1.863 1.00 0.00 H new ATOM 0 HE1 HIS A 474 9.319 14.125 -1.245 1.00 0.00 H new ATOM 0 HE2 HIS A 474 8.818 13.900 1.248 1.00 0.00 H new ATOM 1347 N PHE A 475 5.981 10.042 -1.723 1.00 0.00 N ATOM 1348 CA PHE A 475 5.228 10.440 -2.884 1.00 0.00 C ATOM 1349 C PHE A 475 5.759 11.715 -3.447 1.00 0.00 C ATOM 1350 O PHE A 475 6.339 12.524 -2.719 1.00 0.00 O ATOM 1351 CB PHE A 475 3.750 10.586 -2.561 1.00 0.00 C ATOM 1352 CG PHE A 475 3.037 9.288 -2.354 1.00 0.00 C ATOM 1353 CD1 PHE A 475 2.347 8.708 -3.396 1.00 0.00 C ATOM 1354 CD2 PHE A 475 3.049 8.653 -1.129 1.00 0.00 C ATOM 1355 CE1 PHE A 475 1.682 7.520 -3.225 1.00 0.00 C ATOM 1356 CE2 PHE A 475 2.385 7.461 -0.949 1.00 0.00 C ATOM 1357 CZ PHE A 475 1.700 6.891 -1.999 1.00 0.00 C ATOM 0 H PHE A 475 5.599 10.370 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 475 5.337 9.654 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 475 3.644 11.193 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 475 3.264 11.129 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 475 2.329 9.195 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 475 3.585 9.096 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.145 7.078 -4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 475 2.401 6.973 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.179 5.955 -1.862 1.00 0.00 H new ATOM 1429 N LEU A 480 -0.174 18.243 -4.730 1.00 0.00 N ATOM 1430 CA LEU A 480 -0.490 18.310 -3.317 1.00 0.00 C ATOM 1431 C LEU A 480 -1.961 18.048 -3.032 1.00 0.00 C ATOM 1432 O LEU A 480 -2.301 17.554 -1.957 1.00 0.00 O ATOM 1433 CB LEU A 480 -0.055 19.650 -2.720 1.00 0.00 C ATOM 1434 CG LEU A 480 1.449 19.932 -2.722 1.00 0.00 C ATOM 1435 CD1 LEU A 480 1.719 21.328 -2.202 1.00 0.00 C ATOM 1436 CD2 LEU A 480 2.193 18.905 -1.875 1.00 0.00 C ATOM 0 HA LEU A 480 0.074 17.512 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 480 -0.554 20.448 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 480 -0.412 19.699 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 480 1.810 19.859 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 480 2.792 21.517 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 480 1.218 22.057 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 480 1.341 21.416 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 480 3.260 19.125 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 480 1.829 18.948 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 480 2.022 17.907 -2.279 1.00 0.00 H new ATOM 1448 N GLU A 481 -2.823 18.376 -3.979 1.00 0.00 N ATOM 1449 CA GLU A 481 -4.253 18.194 -3.794 1.00 0.00 C ATOM 1450 C GLU A 481 -4.666 16.724 -3.798 1.00 0.00 C ATOM 1451 O GLU A 481 -5.486 16.316 -2.975 1.00 0.00 O ATOM 1452 CB GLU A 481 -5.081 19.028 -4.772 1.00 0.00 C ATOM 1453 CG GLU A 481 -4.688 18.842 -6.200 1.00 0.00 C ATOM 1454 CD GLU A 481 -5.548 19.593 -7.159 1.00 0.00 C ATOM 1455 OE1 GLU A 481 -5.680 20.827 -7.032 1.00 0.00 O ATOM 1456 OE2 GLU A 481 -6.087 18.971 -8.092 1.00 0.00 O ATOM 0 H GLU A 481 -2.559 18.769 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 481 -4.476 18.573 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -6.133 18.768 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -4.982 20.082 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -3.653 19.160 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -4.728 17.780 -6.444 1.00 0.00 H new ATOM 1463 N SER A 482 -4.099 15.928 -4.697 1.00 0.00 N ATOM 1464 CA SER A 482 -4.407 14.512 -4.747 1.00 0.00 C ATOM 1465 C SER A 482 -3.852 13.842 -3.488 1.00 0.00 C ATOM 1466 O SER A 482 -4.538 13.049 -2.817 1.00 0.00 O ATOM 1467 CB SER A 482 -3.803 13.880 -6.008 1.00 0.00 C ATOM 1468 OG SER A 482 -4.322 12.583 -6.243 1.00 0.00 O ATOM 0 H SER A 482 -3.427 16.242 -5.397 1.00 0.00 H new ATOM 0 HA SER A 482 -5.487 14.371 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 482 -4.009 14.516 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 482 -2.719 13.825 -5.905 1.00 0.00 H new ATOM 0 HG SER A 482 -4.112 12.308 -7.160 1.00 0.00 H new ATOM 1474 N LEU A 483 -2.628 14.228 -3.129 1.00 0.00 N ATOM 1475 CA LEU A 483 -1.972 13.703 -1.948 1.00 0.00 C ATOM 1476 C LEU A 483 -2.697 14.096 -0.680 1.00 0.00 C ATOM 1477 O LEU A 483 -2.693 13.352 0.275 1.00 0.00 O ATOM 1478 CB LEU A 483 -0.512 14.149 -1.874 1.00 0.00 C ATOM 1479 CG LEU A 483 0.436 13.553 -2.912 1.00 0.00 C ATOM 1480 CD1 LEU A 483 1.816 14.158 -2.754 1.00 0.00 C ATOM 1481 CD2 LEU A 483 0.508 12.040 -2.752 1.00 0.00 C ATOM 0 H LEU A 483 -2.073 14.908 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 483 -2.000 12.617 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 483 -0.482 15.235 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 483 -0.130 13.904 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 483 0.058 13.781 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 483 2.488 13.729 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 483 1.759 15.237 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 483 2.195 13.943 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 483 1.187 11.627 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 483 0.873 11.797 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 483 -0.485 11.612 -2.889 1.00 0.00 H new ATOM 1493 N LYS A 484 -3.347 15.249 -0.700 1.00 0.00 N ATOM 1494 CA LYS A 484 -4.065 15.782 0.458 1.00 0.00 C ATOM 1495 C LYS A 484 -5.075 14.778 0.974 1.00 0.00 C ATOM 1496 O LYS A 484 -5.096 14.479 2.160 1.00 0.00 O ATOM 1497 CB LYS A 484 -4.756 17.099 0.086 1.00 0.00 C ATOM 1498 CG LYS A 484 -5.491 17.784 1.222 1.00 0.00 C ATOM 1499 CD LYS A 484 -6.120 19.077 0.743 1.00 0.00 C ATOM 1500 CE LYS A 484 -6.864 19.783 1.855 1.00 0.00 C ATOM 1501 NZ LYS A 484 -7.479 21.041 1.388 1.00 0.00 N ATOM 0 H LYS A 484 -3.394 15.849 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 484 -3.346 15.975 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 484 -4.007 17.786 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 484 -5.464 16.905 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 484 -6.262 17.122 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 484 -4.799 17.990 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 484 -5.345 19.735 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 484 -6.806 18.866 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 484 -7.638 19.125 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 484 -6.177 19.996 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 484 -7.980 21.497 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 484 -6.738 21.679 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 484 -8.153 20.835 0.623 1.00 0.00 H new ATOM 1515 N GLY A 485 -5.849 14.212 0.066 1.00 0.00 N ATOM 1516 CA GLY A 485 -6.845 13.237 0.444 1.00 0.00 C ATOM 1517 C GLY A 485 -6.221 11.987 1.026 1.00 0.00 C ATOM 1518 O GLY A 485 -6.686 11.475 2.040 1.00 0.00 O ATOM 0 H GLY A 485 -5.805 14.412 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -7.524 13.677 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -7.442 12.972 -0.428 1.00 0.00 H new ATOM 1522 N LEU A 486 -5.137 11.530 0.411 1.00 0.00 N ATOM 1523 CA LEU A 486 -4.439 10.338 0.855 1.00 0.00 C ATOM 1524 C LEU A 486 -3.843 10.592 2.256 1.00 0.00 C ATOM 1525 O LEU A 486 -3.979 9.762 3.160 1.00 0.00 O ATOM 1526 CB LEU A 486 -3.358 9.961 -0.194 1.00 0.00 C ATOM 1527 CG LEU A 486 -2.763 8.534 -0.138 1.00 0.00 C ATOM 1528 CD1 LEU A 486 -1.975 8.250 -1.399 1.00 0.00 C ATOM 1529 CD2 LEU A 486 -1.861 8.327 1.067 1.00 0.00 C ATOM 0 H LEU A 486 -4.721 11.976 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 486 -5.122 9.493 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 486 -3.789 10.105 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 486 -2.536 10.670 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 486 -3.603 7.845 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 486 -1.560 7.243 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 486 -2.633 8.330 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 486 -1.164 8.972 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 486 -1.470 7.310 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 486 -1.033 9.034 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 486 -2.432 8.488 1.981 1.00 0.00 H new ATOM 1541 N TYR A 487 -3.220 11.756 2.428 1.00 0.00 N ATOM 1542 CA TYR A 487 -2.656 12.167 3.714 1.00 0.00 C ATOM 1543 C TYR A 487 -3.728 12.248 4.785 1.00 0.00 C ATOM 1544 O TYR A 487 -3.504 11.835 5.922 1.00 0.00 O ATOM 1545 CB TYR A 487 -1.917 13.505 3.606 1.00 0.00 C ATOM 1546 CG TYR A 487 -0.491 13.405 3.106 1.00 0.00 C ATOM 1547 CD1 TYR A 487 -0.195 13.062 1.796 1.00 0.00 C ATOM 1548 CD2 TYR A 487 0.559 13.675 3.959 1.00 0.00 C ATOM 1549 CE1 TYR A 487 1.108 12.993 1.351 1.00 0.00 C ATOM 1550 CE2 TYR A 487 1.859 13.606 3.528 1.00 0.00 C ATOM 1551 CZ TYR A 487 2.134 13.266 2.227 1.00 0.00 C ATOM 1552 OH TYR A 487 3.445 13.212 1.801 1.00 0.00 O ATOM 0 H TYR A 487 -3.092 12.440 1.682 1.00 0.00 H new ATOM 0 HA TYR A 487 -1.934 11.403 4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 487 -2.476 14.160 2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 487 -1.911 13.981 4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 487 -1.001 12.845 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 487 0.354 13.945 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 487 1.321 12.728 0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 487 2.667 13.819 4.212 1.00 0.00 H new ATOM 0 HH TYR A 487 3.490 13.443 0.850 1.00 0.00 H new ATOM 1562 N ARG A 488 -4.895 12.763 4.412 1.00 0.00 N ATOM 1563 CA ARG A 488 -6.020 12.840 5.325 1.00 0.00 C ATOM 1564 C ARG A 488 -6.462 11.454 5.749 1.00 0.00 C ATOM 1565 O ARG A 488 -6.565 11.180 6.929 1.00 0.00 O ATOM 1566 CB ARG A 488 -7.202 13.633 4.737 1.00 0.00 C ATOM 1567 CG ARG A 488 -6.960 15.139 4.502 1.00 0.00 C ATOM 1568 CD ARG A 488 -6.664 15.919 5.793 1.00 0.00 C ATOM 1569 NE ARG A 488 -5.348 15.603 6.372 1.00 0.00 N ATOM 1570 CZ ARG A 488 -5.133 15.115 7.608 1.00 0.00 C ATOM 1571 NH1 ARG A 488 -6.156 14.861 8.423 1.00 0.00 N ATOM 1572 NH2 ARG A 488 -3.903 14.864 8.011 1.00 0.00 N ATOM 0 H ARG A 488 -5.082 13.133 3.480 1.00 0.00 H new ATOM 0 HA ARG A 488 -5.678 13.385 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 488 -7.481 13.178 3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 488 -8.055 13.523 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 488 -6.125 15.262 3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 488 -7.838 15.569 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 488 -6.715 16.988 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 488 -7.439 15.701 6.528 1.00 0.00 H new ATOM 0 HE ARG A 488 -4.529 15.768 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 488 -7.112 15.036 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 488 -5.984 14.491 9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 488 -3.116 15.040 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 488 -3.739 14.494 8.947 1.00 0.00 H new ATOM 1586 N ILE A 489 -6.666 10.574 4.776 1.00 0.00 N ATOM 1587 CA ILE A 489 -7.080 9.189 5.033 1.00 0.00 C ATOM 1588 C ILE A 489 -6.065 8.480 5.944 1.00 0.00 C ATOM 1589 O ILE A 489 -6.438 7.846 6.933 1.00 0.00 O ATOM 1590 CB ILE A 489 -7.272 8.400 3.694 1.00 0.00 C ATOM 1591 CG1 ILE A 489 -8.431 9.002 2.877 1.00 0.00 C ATOM 1592 CG2 ILE A 489 -7.504 6.914 3.942 1.00 0.00 C ATOM 1593 CD1 ILE A 489 -8.652 8.342 1.527 1.00 0.00 C ATOM 0 H ILE A 489 -6.551 10.794 3.787 1.00 0.00 H new ATOM 0 HA ILE A 489 -8.041 9.215 5.546 1.00 0.00 H new ATOM 0 HB ILE A 489 -6.350 8.495 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 489 -9.349 8.926 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 489 -8.238 10.064 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 489 -7.633 6.402 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 489 -6.646 6.494 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 489 -8.400 6.782 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 489 -9.486 8.826 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 489 -7.751 8.440 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 489 -8.879 7.286 1.671 1.00 0.00 H new ATOM 1605 N MET A 490 -4.797 8.648 5.642 1.00 0.00 N ATOM 1606 CA MET A 490 -3.728 8.067 6.443 1.00 0.00 C ATOM 1607 C MET A 490 -3.713 8.649 7.854 1.00 0.00 C ATOM 1608 O MET A 490 -3.614 7.911 8.838 1.00 0.00 O ATOM 1609 CB MET A 490 -2.375 8.274 5.769 1.00 0.00 C ATOM 1610 CG MET A 490 -2.098 7.339 4.599 1.00 0.00 C ATOM 1611 SD MET A 490 -1.909 5.622 5.128 1.00 0.00 S ATOM 1612 CE MET A 490 -1.493 4.802 3.590 1.00 0.00 C ATOM 0 H MET A 490 -4.473 9.187 4.839 1.00 0.00 H new ATOM 0 HA MET A 490 -3.918 6.997 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 490 -2.314 9.304 5.416 1.00 0.00 H new ATOM 0 HB3 MET A 490 -1.590 8.145 6.514 1.00 0.00 H new ATOM 0 HG2 MET A 490 -2.914 7.408 3.880 1.00 0.00 H new ATOM 0 HG3 MET A 490 -1.192 7.661 4.085 1.00 0.00 H new ATOM 0 HE1 MET A 490 -2.271 4.080 3.341 1.00 0.00 H new ATOM 0 HE2 MET A 490 -1.415 5.541 2.793 1.00 0.00 H new ATOM 0 HE3 MET A 490 -0.540 4.285 3.700 1.00 0.00 H new ATOM 1622 N GLY A 491 -3.867 9.959 7.950 1.00 0.00 N ATOM 1623 CA GLY A 491 -3.875 10.635 9.239 1.00 0.00 C ATOM 1624 C GLY A 491 -5.104 10.281 10.072 1.00 0.00 C ATOM 1625 O GLY A 491 -5.089 10.379 11.304 1.00 0.00 O ATOM 0 H GLY A 491 -3.989 10.578 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -2.975 10.368 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -3.844 11.713 9.081 1.00 0.00 H new ATOM 1629 N ASN A 492 -6.162 9.838 9.393 1.00 0.00 N ATOM 1630 CA ASN A 492 -7.420 9.441 10.046 1.00 0.00 C ATOM 1631 C ASN A 492 -7.306 8.077 10.696 1.00 0.00 C ATOM 1632 O ASN A 492 -8.218 7.641 11.387 1.00 0.00 O ATOM 1633 CB ASN A 492 -8.616 9.423 9.062 1.00 0.00 C ATOM 1634 CG ASN A 492 -9.042 10.782 8.548 1.00 0.00 C ATOM 1635 OD1 ASN A 492 -8.876 11.810 9.216 1.00 0.00 O ATOM 1636 ND2 ASN A 492 -9.617 10.804 7.361 1.00 0.00 N ATOM 0 H ASN A 492 -6.177 9.743 8.378 1.00 0.00 H new ATOM 0 HA ASN A 492 -7.605 10.196 10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 492 -8.357 8.794 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 492 -9.467 8.955 9.557 1.00 0.00 H new ATOM 0 HD21 ASN A 492 -9.940 11.688 6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 492 -9.738 9.937 6.837 1.00 0.00 H new ATOM 1643 N GLY A 493 -6.202 7.396 10.476 1.00 0.00 N ATOM 1644 CA GLY A 493 -6.036 6.106 11.087 1.00 0.00 C ATOM 1645 C GLY A 493 -6.372 4.976 10.148 1.00 0.00 C ATOM 1646 O GLY A 493 -6.870 3.929 10.571 1.00 0.00 O ATOM 0 H GLY A 493 -5.426 7.709 9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -5.006 5.998 11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -6.671 6.041 11.970 1.00 0.00 H new ATOM 1650 N PHE A 494 -6.158 5.195 8.884 1.00 0.00 N ATOM 1651 CA PHE A 494 -6.349 4.171 7.895 1.00 0.00 C ATOM 1652 C PHE A 494 -5.005 3.660 7.417 1.00 0.00 C ATOM 1653 O PHE A 494 -3.976 4.302 7.650 1.00 0.00 O ATOM 1654 CB PHE A 494 -7.185 4.670 6.720 1.00 0.00 C ATOM 1655 CG PHE A 494 -8.619 4.920 7.078 1.00 0.00 C ATOM 1656 CD1 PHE A 494 -9.472 3.859 7.266 1.00 0.00 C ATOM 1657 CD2 PHE A 494 -9.110 6.202 7.226 1.00 0.00 C ATOM 1658 CE1 PHE A 494 -10.786 4.060 7.597 1.00 0.00 C ATOM 1659 CE2 PHE A 494 -10.430 6.418 7.555 1.00 0.00 C ATOM 1660 CZ PHE A 494 -11.272 5.342 7.743 1.00 0.00 C ATOM 0 H PHE A 494 -5.845 6.090 8.507 1.00 0.00 H new ATOM 0 HA PHE A 494 -6.899 3.352 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 494 -6.747 5.592 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 494 -7.141 3.937 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 494 -9.101 2.851 7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 494 -8.451 7.046 7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 494 -11.441 3.214 7.744 1.00 0.00 H new ATOM 0 HE2 PHE A 494 -10.804 7.425 7.665 1.00 0.00 H new ATOM 0 HZ PHE A 494 -12.308 5.503 8.003 1.00 0.00 H new ATOM 1670 N ALA A 495 -5.017 2.516 6.808 1.00 0.00 N ATOM 1671 CA ALA A 495 -3.847 1.884 6.273 1.00 0.00 C ATOM 1672 C ALA A 495 -4.094 1.586 4.808 1.00 0.00 C ATOM 1673 O ALA A 495 -5.259 1.518 4.373 1.00 0.00 O ATOM 1674 CB ALA A 495 -3.565 0.594 7.027 1.00 0.00 C ATOM 0 H ALA A 495 -5.870 1.976 6.663 1.00 0.00 H new ATOM 0 HA ALA A 495 -2.984 2.541 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 495 -2.675 0.119 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 495 -3.402 0.817 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 495 -4.416 -0.080 6.926 1.00 0.00 H new ATOM 1680 N GLY A 496 -3.049 1.422 4.051 1.00 0.00 N ATOM 1681 CA GLY A 496 -3.204 1.148 2.660 1.00 0.00 C ATOM 1682 C GLY A 496 -2.641 -0.196 2.295 1.00 0.00 C ATOM 1683 O GLY A 496 -1.436 -0.388 2.299 1.00 0.00 O ATOM 0 H GLY A 496 -2.084 1.474 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 496 -4.261 1.184 2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 496 -2.704 1.923 2.078 1.00 0.00 H new ATOM 1687 N CYS A 497 -3.495 -1.132 2.007 1.00 0.00 N ATOM 1688 CA CYS A 497 -3.039 -2.434 1.598 1.00 0.00 C ATOM 1689 C CYS A 497 -2.742 -2.416 0.109 1.00 0.00 C ATOM 1690 O CYS A 497 -3.625 -2.128 -0.713 1.00 0.00 O ATOM 1691 CB CYS A 497 -4.049 -3.524 1.979 1.00 0.00 C ATOM 1692 SG CYS A 497 -5.747 -3.219 1.441 1.00 0.00 S ATOM 0 H CYS A 497 -4.508 -1.023 2.046 1.00 0.00 H new ATOM 0 HA CYS A 497 -2.118 -2.678 2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 497 -3.715 -4.471 1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 497 -4.043 -3.640 3.063 1.00 0.00 H new ATOM 0 HG CYS A 497 -5.884 -1.965 1.126 1.00 0.00 H new ATOM 1698 N VAL A 498 -1.510 -2.670 -0.229 1.00 0.00 N ATOM 1699 CA VAL A 498 -1.066 -2.621 -1.590 1.00 0.00 C ATOM 1700 C VAL A 498 -0.901 -4.029 -2.112 1.00 0.00 C ATOM 1701 O VAL A 498 -0.140 -4.835 -1.558 1.00 0.00 O ATOM 1702 CB VAL A 498 0.284 -1.858 -1.731 1.00 0.00 C ATOM 1703 CG1 VAL A 498 0.695 -1.732 -3.194 1.00 0.00 C ATOM 1704 CG2 VAL A 498 0.210 -0.485 -1.077 1.00 0.00 C ATOM 0 H VAL A 498 -0.780 -2.919 0.439 1.00 0.00 H new ATOM 0 HA VAL A 498 -1.817 -2.084 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 498 1.046 -2.441 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 498 1.641 -1.195 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 498 0.810 -2.726 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 498 -0.072 -1.185 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 498 1.167 0.024 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 498 -0.574 0.103 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 498 -0.016 -0.599 -0.017 1.00 0.00 H new ATOM 1714 N HIS A 499 -1.608 -4.324 -3.144 1.00 0.00 N ATOM 1715 CA HIS A 499 -1.543 -5.601 -3.765 1.00 0.00 C ATOM 1716 C HIS A 499 -0.896 -5.462 -5.118 1.00 0.00 C ATOM 1717 O HIS A 499 -1.166 -4.501 -5.872 1.00 0.00 O ATOM 1718 CB HIS A 499 -2.931 -6.252 -3.864 1.00 0.00 C ATOM 1719 CG HIS A 499 -3.475 -6.705 -2.535 1.00 0.00 C ATOM 1720 ND1 HIS A 499 -4.264 -5.932 -1.707 1.00 0.00 N ATOM 1721 CD2 HIS A 499 -3.307 -7.883 -1.888 1.00 0.00 C ATOM 1722 CE1 HIS A 499 -4.534 -6.651 -0.610 1.00 0.00 C ATOM 1723 NE2 HIS A 499 -3.976 -7.841 -0.672 1.00 0.00 N ATOM 0 H HIS A 499 -2.258 -3.676 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 499 -0.935 -6.264 -3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 499 -3.627 -5.541 -4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 499 -2.876 -7.108 -4.536 1.00 0.00 H new ATOM 0 HD1 HIS A 499 -4.584 -4.982 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 499 -2.741 -8.724 -2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 499 -5.132 -6.300 0.218 1.00 0.00 H new ATOM 1731 N PHE A 500 -0.019 -6.367 -5.398 1.00 0.00 N ATOM 1732 CA PHE A 500 0.703 -6.385 -6.629 1.00 0.00 C ATOM 1733 C PHE A 500 0.011 -7.352 -7.553 1.00 0.00 C ATOM 1734 O PHE A 500 -0.372 -8.434 -7.109 1.00 0.00 O ATOM 1735 CB PHE A 500 2.139 -6.921 -6.413 1.00 0.00 C ATOM 1736 CG PHE A 500 3.027 -6.168 -5.445 1.00 0.00 C ATOM 1737 CD1 PHE A 500 4.157 -5.510 -5.892 1.00 0.00 C ATOM 1738 CD2 PHE A 500 2.756 -6.155 -4.092 1.00 0.00 C ATOM 1739 CE1 PHE A 500 4.990 -4.864 -5.011 1.00 0.00 C ATOM 1740 CE2 PHE A 500 3.580 -5.504 -3.210 1.00 0.00 C ATOM 1741 CZ PHE A 500 4.701 -4.858 -3.669 1.00 0.00 C ATOM 0 H PHE A 500 0.222 -7.131 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 500 0.742 -5.373 -7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 500 2.065 -7.953 -6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 500 2.639 -6.943 -7.381 1.00 0.00 H new ATOM 0 HD1 PHE A 500 4.388 -5.504 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 500 1.880 -6.666 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 500 5.873 -4.360 -5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 500 3.347 -5.500 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 500 5.353 -4.347 -2.977 1.00 0.00 H new ATOM 1751 N PRO A 501 -0.228 -6.982 -8.818 1.00 0.00 N ATOM 1752 CA PRO A 501 -0.675 -7.942 -9.814 1.00 0.00 C ATOM 1753 C PRO A 501 0.460 -8.951 -10.040 1.00 0.00 C ATOM 1754 O PRO A 501 1.398 -8.700 -10.816 1.00 0.00 O ATOM 1755 CB PRO A 501 -0.919 -7.096 -11.078 1.00 0.00 C ATOM 1756 CG PRO A 501 -1.013 -5.688 -10.585 1.00 0.00 C ATOM 1757 CD PRO A 501 -0.147 -5.617 -9.358 1.00 0.00 C ATOM 0 HA PRO A 501 -1.569 -8.498 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 501 -0.105 -7.211 -11.794 1.00 0.00 H new ATOM 0 HB3 PRO A 501 -1.835 -7.399 -11.586 1.00 0.00 H new ATOM 0 HG2 PRO A 501 -0.671 -4.985 -11.345 1.00 0.00 H new ATOM 0 HG3 PRO A 501 -2.044 -5.426 -10.350 1.00 0.00 H new ATOM 0 HD2 PRO A 501 0.878 -5.340 -9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 501 -0.515 -4.879 -8.646 1.00 0.00 H new ATOM 1846 N VAL A 508 6.600 -12.685 -5.641 1.00 0.00 N ATOM 1847 CA VAL A 508 5.819 -11.457 -5.768 1.00 0.00 C ATOM 1848 C VAL A 508 4.802 -11.446 -4.639 1.00 0.00 C ATOM 1849 O VAL A 508 3.761 -12.096 -4.680 1.00 0.00 O ATOM 1850 CB VAL A 508 5.164 -11.220 -7.164 1.00 0.00 C ATOM 1851 CG1 VAL A 508 4.440 -9.876 -7.186 1.00 0.00 C ATOM 1852 CG2 VAL A 508 6.216 -11.260 -8.274 1.00 0.00 C ATOM 0 HA VAL A 508 6.505 -10.614 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 508 4.444 -12.019 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 508 3.987 -9.723 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 508 3.663 -9.869 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 508 5.152 -9.076 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 508 5.735 -11.092 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.959 -10.482 -8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.705 -12.234 -8.277 1.00 0.00 H new ATOM 1862 N ARG A 509 5.171 -10.742 -3.611 1.00 0.00 N ATOM 1863 CA ARG A 509 4.491 -10.786 -2.333 1.00 0.00 C ATOM 1864 C ARG A 509 3.527 -9.617 -2.214 1.00 0.00 C ATOM 1865 O ARG A 509 3.269 -8.954 -3.207 1.00 0.00 O ATOM 1866 CB ARG A 509 5.563 -10.717 -1.256 1.00 0.00 C ATOM 1867 CG ARG A 509 6.778 -11.599 -1.550 1.00 0.00 C ATOM 1868 CD ARG A 509 6.407 -13.062 -1.770 1.00 0.00 C ATOM 1869 NE ARG A 509 7.566 -13.846 -2.186 1.00 0.00 N ATOM 1870 CZ ARG A 509 7.790 -15.123 -1.873 1.00 0.00 C ATOM 1871 NH1 ARG A 509 6.917 -15.806 -1.118 1.00 0.00 N ATOM 1872 NH2 ARG A 509 8.880 -15.724 -2.330 1.00 0.00 N ATOM 0 H ARG A 509 5.968 -10.106 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 509 3.907 -11.700 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 509 5.892 -9.683 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 509 5.129 -11.016 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 509 7.290 -11.222 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 509 7.482 -11.528 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 509 5.995 -13.477 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 509 5.627 -13.132 -2.528 1.00 0.00 H new ATOM 0 HE ARG A 509 8.263 -13.378 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 509 6.071 -15.349 -0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 509 7.099 -16.782 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 509 9.538 -15.210 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 509 9.060 -16.700 -2.096 1.00 0.00 H new ATOM 1886 N VAL A 510 3.009 -9.333 -1.012 1.00 0.00 N ATOM 1887 CA VAL A 510 2.027 -8.225 -0.892 1.00 0.00 C ATOM 1888 C VAL A 510 2.515 -7.171 0.085 1.00 0.00 C ATOM 1889 O VAL A 510 3.387 -7.448 0.843 1.00 0.00 O ATOM 1890 CB VAL A 510 0.594 -8.709 -0.557 1.00 0.00 C ATOM 1891 CG1 VAL A 510 0.013 -9.503 -1.720 1.00 0.00 C ATOM 1892 CG2 VAL A 510 0.590 -9.554 0.686 1.00 0.00 C ATOM 0 H VAL A 510 3.232 -9.821 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 510 1.954 -7.765 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 510 -0.024 -7.828 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 510 -0.994 -9.835 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 510 -0.025 -8.872 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 510 0.642 -10.371 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 510 -0.427 -9.881 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 510 1.228 -10.425 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 510 0.967 -8.969 1.525 1.00 0.00 H new ATOM 1902 N LEU A 511 1.954 -5.978 0.066 1.00 0.00 N ATOM 1903 CA LEU A 511 2.520 -4.866 0.837 1.00 0.00 C ATOM 1904 C LEU A 511 1.494 -4.108 1.692 1.00 0.00 C ATOM 1905 O LEU A 511 0.328 -3.974 1.331 1.00 0.00 O ATOM 1906 CB LEU A 511 3.232 -3.919 -0.158 1.00 0.00 C ATOM 1907 CG LEU A 511 3.532 -2.462 0.266 1.00 0.00 C ATOM 1908 CD1 LEU A 511 4.550 -2.363 1.386 1.00 0.00 C ATOM 1909 CD2 LEU A 511 3.993 -1.672 -0.933 1.00 0.00 C ATOM 0 H LEU A 511 1.115 -5.745 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 511 3.223 -5.277 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 511 4.180 -4.383 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 511 2.626 -3.879 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 511 2.605 -2.044 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.715 -1.315 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.178 -2.891 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.490 -2.812 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.204 -0.646 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 511 4.897 -2.124 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.211 -1.675 -1.693 1.00 0.00 H new ATOM 1921 N MET A 512 1.949 -3.645 2.838 1.00 0.00 N ATOM 1922 CA MET A 512 1.172 -2.790 3.716 1.00 0.00 C ATOM 1923 C MET A 512 1.807 -1.421 3.770 1.00 0.00 C ATOM 1924 O MET A 512 2.955 -1.299 4.167 1.00 0.00 O ATOM 1925 CB MET A 512 1.123 -3.368 5.122 1.00 0.00 C ATOM 1926 CG MET A 512 0.481 -2.444 6.159 1.00 0.00 C ATOM 1927 SD MET A 512 -1.182 -1.909 5.713 1.00 0.00 S ATOM 1928 CE MET A 512 -1.976 -3.481 5.489 1.00 0.00 C ATOM 0 H MET A 512 2.882 -3.854 3.192 1.00 0.00 H new ATOM 0 HA MET A 512 0.157 -2.721 3.326 1.00 0.00 H new ATOM 0 HB2 MET A 512 0.570 -4.307 5.097 1.00 0.00 H new ATOM 0 HB3 MET A 512 2.138 -3.604 5.441 1.00 0.00 H new ATOM 0 HG2 MET A 512 0.443 -2.959 7.119 1.00 0.00 H new ATOM 0 HG3 MET A 512 1.113 -1.566 6.293 1.00 0.00 H new ATOM 0 HE1 MET A 512 -3.022 -3.406 5.787 1.00 0.00 H new ATOM 0 HE2 MET A 512 -1.917 -3.772 4.440 1.00 0.00 H new ATOM 0 HE3 MET A 512 -1.477 -4.231 6.102 1.00 0.00 H new ATOM 1938 N LEU A 513 1.075 -0.417 3.389 1.00 0.00 N ATOM 1939 CA LEU A 513 1.569 0.933 3.386 1.00 0.00 C ATOM 1940 C LEU A 513 0.960 1.714 4.539 1.00 0.00 C ATOM 1941 O LEU A 513 -0.267 1.754 4.711 1.00 0.00 O ATOM 1942 CB LEU A 513 1.259 1.609 2.046 1.00 0.00 C ATOM 1943 CG LEU A 513 1.824 3.012 1.847 1.00 0.00 C ATOM 1944 CD1 LEU A 513 3.334 2.985 1.931 1.00 0.00 C ATOM 1945 CD2 LEU A 513 1.378 3.586 0.512 1.00 0.00 C ATOM 0 H LEU A 513 0.111 -0.509 3.069 1.00 0.00 H new ATOM 0 HA LEU A 513 2.651 0.915 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 513 1.637 0.972 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 513 0.176 1.657 1.930 1.00 0.00 H new ATOM 0 HG LEU A 513 1.441 3.654 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 513 3.724 3.992 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 513 3.637 2.615 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 513 3.730 2.329 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 513 1.792 4.587 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 513 1.732 2.946 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 513 0.290 3.637 0.483 1.00 0.00 H new ATOM 1957 N LEU A 514 1.815 2.312 5.319 1.00 0.00 N ATOM 1958 CA LEU A 514 1.433 3.085 6.469 1.00 0.00 C ATOM 1959 C LEU A 514 2.168 4.409 6.453 1.00 0.00 C ATOM 1960 O LEU A 514 3.282 4.500 5.963 1.00 0.00 O ATOM 1961 CB LEU A 514 1.766 2.310 7.741 1.00 0.00 C ATOM 1962 CG LEU A 514 0.918 1.070 8.016 1.00 0.00 C ATOM 1963 CD1 LEU A 514 1.535 0.240 9.126 1.00 0.00 C ATOM 1964 CD2 LEU A 514 -0.483 1.484 8.421 1.00 0.00 C ATOM 0 H LEU A 514 2.823 2.275 5.170 1.00 0.00 H new ATOM 0 HA LEU A 514 0.360 3.275 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 514 2.812 2.006 7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 514 1.669 2.987 8.590 1.00 0.00 H new ATOM 0 HG LEU A 514 0.876 0.472 7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 514 0.918 -0.640 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 514 2.536 -0.074 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 514 1.595 0.837 10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 514 -1.083 0.595 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 514 -0.436 2.095 9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 514 -0.939 2.060 7.616 1.00 0.00 H new ATOM 1976 N TYR A 515 1.558 5.419 6.973 1.00 0.00 N ATOM 1977 CA TYR A 515 2.149 6.735 6.977 1.00 0.00 C ATOM 1978 C TYR A 515 2.676 7.082 8.351 1.00 0.00 C ATOM 1979 O TYR A 515 1.970 6.942 9.348 1.00 0.00 O ATOM 1980 CB TYR A 515 1.113 7.762 6.517 1.00 0.00 C ATOM 1981 CG TYR A 515 1.552 9.212 6.582 1.00 0.00 C ATOM 1982 CD1 TYR A 515 0.773 10.148 7.246 1.00 0.00 C ATOM 1983 CD2 TYR A 515 2.737 9.641 5.991 1.00 0.00 C ATOM 1984 CE1 TYR A 515 1.150 11.468 7.318 1.00 0.00 C ATOM 1985 CE2 TYR A 515 3.129 10.960 6.059 1.00 0.00 C ATOM 1986 CZ TYR A 515 2.333 11.871 6.723 1.00 0.00 C ATOM 1987 OH TYR A 515 2.719 13.192 6.787 1.00 0.00 O ATOM 0 H TYR A 515 0.637 5.367 7.409 1.00 0.00 H new ATOM 0 HA TYR A 515 2.992 6.748 6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 515 0.832 7.532 5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 515 0.217 7.645 7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 515 -0.147 9.834 7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 515 3.359 8.928 5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 515 0.528 12.185 7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 515 4.052 11.278 5.597 1.00 0.00 H new ATOM 0 HH TYR A 515 2.249 13.704 6.096 1.00 0.00 H new ATOM 1997 N SER A 516 3.911 7.502 8.414 1.00 0.00 N ATOM 1998 CA SER A 516 4.477 7.946 9.638 1.00 0.00 C ATOM 1999 C SER A 516 4.625 9.461 9.564 1.00 0.00 C ATOM 2000 O SER A 516 5.460 9.993 8.799 1.00 0.00 O ATOM 2001 CB SER A 516 5.826 7.275 9.832 1.00 0.00 C ATOM 2002 OG SER A 516 5.691 5.867 9.717 1.00 0.00 O ATOM 0 H SER A 516 4.543 7.542 7.615 1.00 0.00 H new ATOM 0 HA SER A 516 3.842 7.687 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 516 6.534 7.642 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 516 6.231 7.531 10.811 1.00 0.00 H new ATOM 0 HG SER A 516 6.566 5.443 9.842 1.00 0.00 H new ATOM 2008 N SER A 517 3.822 10.131 10.351 1.00 0.00 N ATOM 2009 CA SER A 517 3.727 11.565 10.385 1.00 0.00 C ATOM 2010 C SER A 517 4.983 12.240 10.942 1.00 0.00 C ATOM 2011 O SER A 517 5.398 13.294 10.457 1.00 0.00 O ATOM 2012 CB SER A 517 2.502 11.905 11.215 1.00 0.00 C ATOM 2013 OG SER A 517 2.485 11.093 12.387 1.00 0.00 O ATOM 0 H SER A 517 3.193 9.673 11.010 1.00 0.00 H new ATOM 0 HA SER A 517 3.636 11.946 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 517 2.516 12.960 11.490 1.00 0.00 H new ATOM 0 HB3 SER A 517 1.596 11.740 10.631 1.00 0.00 H new ATOM 0 HG SER A 517 1.696 11.312 12.925 1.00 0.00 H new ATOM 2019 N LYS A 518 5.604 11.604 11.921 1.00 0.00 N ATOM 2020 CA LYS A 518 6.751 12.193 12.614 1.00 0.00 C ATOM 2021 C LYS A 518 8.010 12.199 11.755 1.00 0.00 C ATOM 2022 O LYS A 518 8.823 13.104 11.851 1.00 0.00 O ATOM 2023 CB LYS A 518 6.998 11.498 13.955 1.00 0.00 C ATOM 2024 CG LYS A 518 5.786 11.497 14.887 1.00 0.00 C ATOM 2025 CD LYS A 518 5.290 12.910 15.165 1.00 0.00 C ATOM 2026 CE LYS A 518 4.064 12.911 16.063 1.00 0.00 C ATOM 2027 NZ LYS A 518 4.349 12.345 17.399 1.00 0.00 N ATOM 0 H LYS A 518 5.337 10.679 12.258 1.00 0.00 H new ATOM 0 HA LYS A 518 6.502 13.236 12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 518 7.301 10.468 13.768 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.831 11.989 14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 518 4.983 10.911 14.440 1.00 0.00 H new ATOM 0 HG3 LYS A 518 6.050 11.012 15.827 1.00 0.00 H new ATOM 0 HD2 LYS A 518 6.085 13.489 15.635 1.00 0.00 H new ATOM 0 HD3 LYS A 518 5.051 13.403 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 518 3.698 13.932 16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 518 3.268 12.336 15.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 3.540 12.519 18.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 4.509 11.321 17.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 5.199 12.797 17.793 1.00 0.00 H new ATOM 2041 N LYS A 519 8.167 11.196 10.919 1.00 0.00 N ATOM 2042 CA LYS A 519 9.311 11.158 10.021 1.00 0.00 C ATOM 2043 C LYS A 519 8.925 11.683 8.648 1.00 0.00 C ATOM 2044 O LYS A 519 9.772 11.809 7.752 1.00 0.00 O ATOM 2045 CB LYS A 519 9.936 9.756 9.941 1.00 0.00 C ATOM 2046 CG LYS A 519 10.628 9.314 11.230 1.00 0.00 C ATOM 2047 CD LYS A 519 11.275 7.928 11.108 1.00 0.00 C ATOM 2048 CE LYS A 519 10.238 6.833 10.917 1.00 0.00 C ATOM 2049 NZ LYS A 519 10.843 5.483 10.783 1.00 0.00 N ATOM 0 H LYS A 519 7.529 10.404 10.839 1.00 0.00 H new ATOM 0 HA LYS A 519 10.079 11.813 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.157 9.035 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 519 10.660 9.737 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 519 11.391 10.045 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 519 9.901 9.301 12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 519 11.967 7.923 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 519 11.861 7.721 12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 519 9.553 6.836 11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 519 9.646 7.051 10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 10.091 4.777 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 11.477 5.467 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 11.386 5.259 11.641 1.00 0.00 H new ATOM 2063 N LYS A 520 7.629 11.996 8.508 1.00 0.00 N ATOM 2064 CA LYS A 520 7.038 12.565 7.308 1.00 0.00 C ATOM 2065 C LYS A 520 7.231 11.630 6.088 1.00 0.00 C ATOM 2066 O LYS A 520 7.359 12.070 4.937 1.00 0.00 O ATOM 2067 CB LYS A 520 7.610 13.988 7.081 1.00 0.00 C ATOM 2068 CG LYS A 520 6.927 14.786 5.991 1.00 0.00 C ATOM 2069 CD LYS A 520 5.447 14.934 6.274 1.00 0.00 C ATOM 2070 CE LYS A 520 4.738 15.589 5.115 1.00 0.00 C ATOM 2071 NZ LYS A 520 4.879 14.782 3.882 1.00 0.00 N ATOM 0 H LYS A 520 6.950 11.852 9.255 1.00 0.00 H new ATOM 0 HA LYS A 520 5.960 12.657 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 520 7.540 14.544 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 520 8.669 13.903 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 520 7.387 15.771 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 520 7.070 14.292 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 520 5.010 13.954 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 520 5.303 15.529 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 520 3.682 15.713 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 520 5.147 16.586 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 5.592 15.217 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 5.179 13.818 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 3.966 14.744 3.386 1.00 0.00 H new ATOM 2085 N ILE A 521 7.152 10.342 6.336 1.00 0.00 N ATOM 2086 CA ILE A 521 7.374 9.359 5.282 1.00 0.00 C ATOM 2087 C ILE A 521 6.416 8.212 5.405 1.00 0.00 C ATOM 2088 O ILE A 521 5.753 8.053 6.436 1.00 0.00 O ATOM 2089 CB ILE A 521 8.869 8.844 5.185 1.00 0.00 C ATOM 2090 CG1 ILE A 521 9.458 8.354 6.537 1.00 0.00 C ATOM 2091 CG2 ILE A 521 9.776 9.878 4.551 1.00 0.00 C ATOM 2092 CD1 ILE A 521 8.945 7.011 7.030 1.00 0.00 C ATOM 0 H ILE A 521 6.937 9.945 7.251 1.00 0.00 H new ATOM 0 HA ILE A 521 7.182 9.883 4.346 1.00 0.00 H new ATOM 0 HB ILE A 521 8.826 7.969 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 521 10.542 8.295 6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 521 9.246 9.105 7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 521 10.793 9.489 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 521 9.424 10.102 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 521 9.765 10.788 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 521 9.421 6.766 7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 521 7.865 7.062 7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 521 9.181 6.240 6.297 1.00 0.00 H new ATOM 2104 N PHE A 522 6.321 7.432 4.378 1.00 0.00 N ATOM 2105 CA PHE A 522 5.472 6.293 4.396 1.00 0.00 C ATOM 2106 C PHE A 522 6.325 5.057 4.583 1.00 0.00 C ATOM 2107 O PHE A 522 7.353 4.891 3.920 1.00 0.00 O ATOM 2108 CB PHE A 522 4.657 6.202 3.103 1.00 0.00 C ATOM 2109 CG PHE A 522 3.693 7.340 2.867 1.00 0.00 C ATOM 2110 CD1 PHE A 522 2.335 7.150 3.034 1.00 0.00 C ATOM 2111 CD2 PHE A 522 4.144 8.592 2.467 1.00 0.00 C ATOM 2112 CE1 PHE A 522 1.446 8.182 2.813 1.00 0.00 C ATOM 2113 CE2 PHE A 522 3.259 9.627 2.247 1.00 0.00 C ATOM 2114 CZ PHE A 522 1.906 9.420 2.418 1.00 0.00 C ATOM 0 H PHE A 522 6.831 7.569 3.505 1.00 0.00 H new ATOM 0 HA PHE A 522 4.765 6.377 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 522 5.347 6.151 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 522 4.096 5.268 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 522 1.965 6.183 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 522 5.202 8.757 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 522 0.387 8.019 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 522 3.624 10.596 1.942 1.00 0.00 H new ATOM 0 HZ PHE A 522 1.209 10.226 2.243 1.00 0.00 H new ATOM 2124 N MET A 523 5.923 4.223 5.475 1.00 0.00 N ATOM 2125 CA MET A 523 6.635 3.015 5.777 1.00 0.00 C ATOM 2126 C MET A 523 5.809 1.862 5.298 1.00 0.00 C ATOM 2127 O MET A 523 4.593 1.997 5.125 1.00 0.00 O ATOM 2128 CB MET A 523 6.891 2.874 7.289 1.00 0.00 C ATOM 2129 CG MET A 523 5.623 2.731 8.139 1.00 0.00 C ATOM 2130 SD MET A 523 5.954 2.541 9.911 1.00 0.00 S ATOM 2131 CE MET A 523 6.879 1.000 9.940 1.00 0.00 C ATOM 0 H MET A 523 5.077 4.356 6.029 1.00 0.00 H new ATOM 0 HA MET A 523 7.605 3.037 5.281 1.00 0.00 H new ATOM 0 HB2 MET A 523 7.526 2.004 7.457 1.00 0.00 H new ATOM 0 HB3 MET A 523 7.447 3.746 7.633 1.00 0.00 H new ATOM 0 HG2 MET A 523 4.994 3.608 7.988 1.00 0.00 H new ATOM 0 HG3 MET A 523 5.057 1.868 7.789 1.00 0.00 H new ATOM 0 HE1 MET A 523 6.890 0.601 10.954 1.00 0.00 H new ATOM 0 HE2 MET A 523 6.407 0.280 9.272 1.00 0.00 H new ATOM 0 HE3 MET A 523 7.902 1.183 9.611 1.00 0.00 H new ATOM 2141 N GLY A 524 6.426 0.763 5.068 1.00 0.00 N ATOM 2142 CA GLY A 524 5.691 -0.358 4.648 1.00 0.00 C ATOM 2143 C GLY A 524 6.465 -1.613 4.786 1.00 0.00 C ATOM 2144 O GLY A 524 7.686 -1.606 4.668 1.00 0.00 O ATOM 0 H GLY A 524 7.431 0.621 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 524 4.775 -0.431 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 524 5.394 -0.228 3.607 1.00 0.00 H new ATOM 2148 N LEU A 525 5.801 -2.651 5.139 1.00 0.00 N ATOM 2149 CA LEU A 525 6.389 -3.956 5.160 1.00 0.00 C ATOM 2150 C LEU A 525 5.711 -4.811 4.139 1.00 0.00 C ATOM 2151 O LEU A 525 4.484 -4.715 3.963 1.00 0.00 O ATOM 2152 CB LEU A 525 6.371 -4.613 6.554 1.00 0.00 C ATOM 2153 CG LEU A 525 7.494 -4.202 7.533 1.00 0.00 C ATOM 2154 CD1 LEU A 525 7.396 -2.736 7.928 1.00 0.00 C ATOM 2155 CD2 LEU A 525 7.474 -5.076 8.775 1.00 0.00 C ATOM 0 H LEU A 525 4.823 -2.628 5.426 1.00 0.00 H new ATOM 0 HA LEU A 525 7.445 -3.851 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 525 5.413 -4.389 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 525 6.415 -5.694 6.421 1.00 0.00 H new ATOM 0 HG LEU A 525 8.440 -4.346 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 525 8.204 -2.490 8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 525 7.476 -2.113 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 525 6.437 -2.553 8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 525 8.273 -4.768 9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 525 6.513 -4.970 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 525 7.621 -6.118 8.489 1.00 0.00 H new ATOM 2167 N ILE A 526 6.477 -5.580 3.418 1.00 0.00 N ATOM 2168 CA ILE A 526 5.916 -6.476 2.458 1.00 0.00 C ATOM 2169 C ILE A 526 6.033 -7.905 2.989 1.00 0.00 C ATOM 2170 O ILE A 526 7.156 -8.452 3.066 1.00 0.00 O ATOM 2171 CB ILE A 526 6.690 -6.359 1.101 1.00 0.00 C ATOM 2172 CG1 ILE A 526 6.634 -4.937 0.572 1.00 0.00 C ATOM 2173 CG2 ILE A 526 6.231 -7.365 0.063 1.00 0.00 C ATOM 2174 CD1 ILE A 526 7.183 -4.749 -0.831 1.00 0.00 C ATOM 0 H ILE A 526 7.495 -5.601 3.480 1.00 0.00 H new ATOM 0 HA ILE A 526 4.869 -6.223 2.291 1.00 0.00 H new ATOM 0 HB ILE A 526 7.731 -6.607 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 526 5.597 -4.601 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 526 7.189 -4.291 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 526 6.806 -7.231 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 526 6.384 -8.375 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 526 5.172 -7.213 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 526 7.098 -3.701 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 526 8.231 -5.048 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 526 6.614 -5.363 -1.530 1.00 0.00 H new ATOM 2186 N PRO A 527 4.907 -8.504 3.417 1.00 0.00 N ATOM 2187 CA PRO A 527 4.847 -9.901 3.797 1.00 0.00 C ATOM 2188 C PRO A 527 4.984 -10.831 2.596 1.00 0.00 C ATOM 2189 O PRO A 527 4.327 -10.633 1.501 1.00 0.00 O ATOM 2190 CB PRO A 527 3.462 -10.064 4.440 1.00 0.00 C ATOM 2191 CG PRO A 527 3.051 -8.684 4.781 1.00 0.00 C ATOM 2192 CD PRO A 527 3.630 -7.830 3.705 1.00 0.00 C ATOM 0 HA PRO A 527 5.665 -10.165 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 527 2.757 -10.530 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 527 3.507 -10.696 5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 527 1.965 -8.593 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 527 3.427 -8.392 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 527 2.985 -7.790 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 527 3.779 -6.803 4.038 1.00 0.00 H new ATOM 2200 N TYR A 528 5.837 -11.837 2.800 1.00 0.00 N ATOM 2201 CA TYR A 528 6.133 -12.857 1.816 1.00 0.00 C ATOM 2202 C TYR A 528 5.022 -13.888 1.711 1.00 0.00 C ATOM 2203 O TYR A 528 4.843 -14.512 0.662 1.00 0.00 O ATOM 2204 CB TYR A 528 7.471 -13.544 2.116 1.00 0.00 C ATOM 2205 CG TYR A 528 8.691 -12.683 1.849 1.00 0.00 C ATOM 2206 CD1 TYR A 528 9.237 -11.870 2.833 1.00 0.00 C ATOM 2207 CD2 TYR A 528 9.297 -12.695 0.601 1.00 0.00 C ATOM 2208 CE1 TYR A 528 10.351 -11.091 2.573 1.00 0.00 C ATOM 2209 CE2 TYR A 528 10.405 -11.928 0.330 1.00 0.00 C ATOM 2210 CZ TYR A 528 10.932 -11.129 1.312 1.00 0.00 C ATOM 2211 OH TYR A 528 12.042 -10.355 1.033 1.00 0.00 O ATOM 0 H TYR A 528 6.347 -11.960 3.675 1.00 0.00 H new ATOM 0 HA TYR A 528 6.209 -12.353 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 528 7.481 -13.853 3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 528 7.543 -14.451 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 528 8.787 -11.845 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 528 8.888 -13.323 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 528 10.765 -10.459 3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 528 10.858 -11.954 -0.650 1.00 0.00 H new ATOM 0 HH TYR A 528 12.736 -10.913 0.624 1.00 0.00 H new ATOM 2221 N ASP A 529 4.292 -14.082 2.786 1.00 0.00 N ATOM 2222 CA ASP A 529 3.177 -15.012 2.767 1.00 0.00 C ATOM 2223 C ASP A 529 1.949 -14.246 2.358 1.00 0.00 C ATOM 2224 O ASP A 529 1.282 -13.627 3.193 1.00 0.00 O ATOM 2225 CB ASP A 529 2.950 -15.676 4.137 1.00 0.00 C ATOM 2226 CG ASP A 529 1.931 -16.818 4.091 1.00 0.00 C ATOM 2227 OD1 ASP A 529 0.701 -16.567 4.008 1.00 0.00 O ATOM 2228 OD2 ASP A 529 2.351 -18.000 4.156 1.00 0.00 O ATOM 0 H ASP A 529 4.445 -13.614 3.679 1.00 0.00 H new ATOM 0 HA ASP A 529 3.396 -15.814 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 529 3.900 -16.060 4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 529 2.610 -14.922 4.847 1.00 0.00 H new ATOM 2233 N GLN A 530 1.703 -14.201 1.068 1.00 0.00 N ATOM 2234 CA GLN A 530 0.569 -13.459 0.552 1.00 0.00 C ATOM 2235 C GLN A 530 -0.737 -14.097 0.983 1.00 0.00 C ATOM 2236 O GLN A 530 -1.693 -13.409 1.287 1.00 0.00 O ATOM 2237 CB GLN A 530 0.618 -13.304 -0.982 1.00 0.00 C ATOM 2238 CG GLN A 530 0.633 -14.613 -1.768 1.00 0.00 C ATOM 2239 CD GLN A 530 0.415 -14.401 -3.252 1.00 0.00 C ATOM 2240 OE1 GLN A 530 -0.728 -14.412 -3.726 1.00 0.00 O ATOM 2241 NE2 GLN A 530 1.477 -14.218 -3.993 1.00 0.00 N ATOM 0 H GLN A 530 2.268 -14.666 0.358 1.00 0.00 H new ATOM 0 HA GLN A 530 0.626 -12.458 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -0.245 -12.718 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 530 1.507 -12.731 -1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 530 1.588 -15.116 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -0.142 -15.274 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 530 2.403 -14.215 -3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 530 1.379 -14.078 -4.999 1.00 0.00 H new ATOM 2250 N SER A 531 -0.725 -15.405 1.086 1.00 0.00 N ATOM 2251 CA SER A 531 -1.897 -16.186 1.367 1.00 0.00 C ATOM 2252 C SER A 531 -2.593 -15.812 2.688 1.00 0.00 C ATOM 2253 O SER A 531 -3.807 -15.545 2.702 1.00 0.00 O ATOM 2254 CB SER A 531 -1.482 -17.650 1.322 1.00 0.00 C ATOM 2255 OG SER A 531 -0.123 -17.802 1.772 1.00 0.00 O ATOM 0 H SER A 531 0.121 -15.964 0.974 1.00 0.00 H new ATOM 0 HA SER A 531 -2.656 -15.978 0.613 1.00 0.00 H new ATOM 0 HB2 SER A 531 -2.148 -18.242 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 531 -1.580 -18.031 0.305 1.00 0.00 H new ATOM 0 HG SER A 531 -0.056 -17.527 2.710 1.00 0.00 H new ATOM 2261 N GLY A 532 -1.831 -15.705 3.757 1.00 0.00 N ATOM 2262 CA GLY A 532 -2.409 -15.371 5.030 1.00 0.00 C ATOM 2263 C GLY A 532 -2.738 -13.914 5.126 1.00 0.00 C ATOM 2264 O GLY A 532 -3.739 -13.532 5.750 1.00 0.00 O ATOM 0 H GLY A 532 -0.821 -15.844 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -3.314 -15.959 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -1.715 -15.640 5.826 1.00 0.00 H new ATOM 2268 N PHE A 533 -1.915 -13.096 4.499 1.00 0.00 N ATOM 2269 CA PHE A 533 -2.086 -11.670 4.564 1.00 0.00 C ATOM 2270 C PHE A 533 -3.343 -11.258 3.817 1.00 0.00 C ATOM 2271 O PHE A 533 -4.176 -10.538 4.359 1.00 0.00 O ATOM 2272 CB PHE A 533 -0.861 -10.953 4.001 1.00 0.00 C ATOM 2273 CG PHE A 533 -0.847 -9.474 4.266 1.00 0.00 C ATOM 2274 CD1 PHE A 533 -1.257 -8.571 3.303 1.00 0.00 C ATOM 2275 CD2 PHE A 533 -0.415 -8.991 5.486 1.00 0.00 C ATOM 2276 CE1 PHE A 533 -1.229 -7.220 3.553 1.00 0.00 C ATOM 2277 CE2 PHE A 533 -0.390 -7.645 5.741 1.00 0.00 C ATOM 2278 CZ PHE A 533 -0.796 -6.759 4.776 1.00 0.00 C ATOM 0 H PHE A 533 -1.120 -13.403 3.938 1.00 0.00 H new ATOM 0 HA PHE A 533 -2.194 -11.380 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 533 0.037 -11.398 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 533 -0.817 -11.120 2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 533 -1.603 -8.931 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 533 -0.093 -9.684 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 533 -1.546 -6.522 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 533 -0.051 -7.282 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 533 -0.776 -5.698 4.976 1.00 0.00 H new ATOM 2288 N VAL A 534 -3.503 -11.774 2.607 1.00 0.00 N ATOM 2289 CA VAL A 534 -4.662 -11.466 1.790 1.00 0.00 C ATOM 2290 C VAL A 534 -5.940 -11.958 2.477 1.00 0.00 C ATOM 2291 O VAL A 534 -6.927 -11.246 2.519 1.00 0.00 O ATOM 2292 CB VAL A 534 -4.530 -12.045 0.342 1.00 0.00 C ATOM 2293 CG1 VAL A 534 -5.802 -11.814 -0.468 1.00 0.00 C ATOM 2294 CG2 VAL A 534 -3.349 -11.393 -0.377 1.00 0.00 C ATOM 0 H VAL A 534 -2.838 -12.412 2.169 1.00 0.00 H new ATOM 0 HA VAL A 534 -4.721 -10.383 1.687 1.00 0.00 H new ATOM 0 HB VAL A 534 -4.365 -13.119 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 534 -5.677 -12.228 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 534 -6.641 -12.304 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 534 -5.998 -10.744 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 534 -3.265 -11.802 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 534 -3.508 -10.316 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 534 -2.431 -11.595 0.174 1.00 0.00 H new ATOM 2304 N ASN A 535 -5.877 -13.147 3.078 1.00 0.00 N ATOM 2305 CA ASN A 535 -7.022 -13.717 3.819 1.00 0.00 C ATOM 2306 C ASN A 535 -7.473 -12.774 4.941 1.00 0.00 C ATOM 2307 O ASN A 535 -8.669 -12.494 5.092 1.00 0.00 O ATOM 2308 CB ASN A 535 -6.655 -15.100 4.401 1.00 0.00 C ATOM 2309 CG ASN A 535 -7.731 -15.697 5.320 1.00 0.00 C ATOM 2310 OD1 ASN A 535 -8.929 -15.437 5.178 1.00 0.00 O ATOM 2311 ND2 ASN A 535 -7.307 -16.509 6.260 1.00 0.00 N ATOM 0 H ASN A 535 -5.048 -13.741 3.071 1.00 0.00 H new ATOM 0 HA ASN A 535 -7.849 -13.838 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 535 -6.470 -15.791 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 535 -5.723 -15.012 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 535 -7.974 -16.944 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 535 -6.310 -16.705 6.353 1.00 0.00 H new ATOM 2318 N GLY A 536 -6.517 -12.263 5.694 1.00 0.00 N ATOM 2319 CA GLY A 536 -6.843 -11.356 6.772 1.00 0.00 C ATOM 2320 C GLY A 536 -7.349 -10.028 6.253 1.00 0.00 C ATOM 2321 O GLY A 536 -8.373 -9.518 6.717 1.00 0.00 O ATOM 0 H GLY A 536 -5.522 -12.458 5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -7.600 -11.809 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -5.960 -11.193 7.390 1.00 0.00 H new ATOM 2325 N ILE A 537 -6.662 -9.498 5.251 1.00 0.00 N ATOM 2326 CA ILE A 537 -7.013 -8.216 4.650 1.00 0.00 C ATOM 2327 C ILE A 537 -8.392 -8.258 3.990 1.00 0.00 C ATOM 2328 O ILE A 537 -9.126 -7.276 4.037 1.00 0.00 O ATOM 2329 CB ILE A 537 -5.919 -7.720 3.650 1.00 0.00 C ATOM 2330 CG1 ILE A 537 -4.595 -7.451 4.381 1.00 0.00 C ATOM 2331 CG2 ILE A 537 -6.360 -6.476 2.884 1.00 0.00 C ATOM 2332 CD1 ILE A 537 -4.671 -6.388 5.465 1.00 0.00 C ATOM 0 H ILE A 537 -5.846 -9.943 4.831 1.00 0.00 H new ATOM 0 HA ILE A 537 -7.061 -7.491 5.462 1.00 0.00 H new ATOM 0 HB ILE A 537 -5.768 -8.518 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 537 -4.247 -8.382 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 537 -3.846 -7.150 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 537 -5.567 -6.169 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 537 -7.262 -6.700 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 537 -6.566 -5.669 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 537 -3.690 -6.267 5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 537 -4.985 -5.441 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 537 -5.392 -6.693 6.223 1.00 0.00 H new ATOM 2344 N ARG A 538 -8.761 -9.407 3.422 1.00 0.00 N ATOM 2345 CA ARG A 538 -10.077 -9.568 2.811 1.00 0.00 C ATOM 2346 C ARG A 538 -11.183 -9.258 3.793 1.00 0.00 C ATOM 2347 O ARG A 538 -12.100 -8.493 3.478 1.00 0.00 O ATOM 2348 CB ARG A 538 -10.289 -10.962 2.248 1.00 0.00 C ATOM 2349 CG ARG A 538 -9.540 -11.247 0.965 1.00 0.00 C ATOM 2350 CD ARG A 538 -9.901 -12.619 0.454 1.00 0.00 C ATOM 2351 NE ARG A 538 -11.353 -12.734 0.233 1.00 0.00 N ATOM 2352 CZ ARG A 538 -12.088 -13.820 0.473 1.00 0.00 C ATOM 2353 NH1 ARG A 538 -11.514 -14.943 0.864 1.00 0.00 N ATOM 2354 NH2 ARG A 538 -13.403 -13.774 0.319 1.00 0.00 N ATOM 0 H ARG A 538 -8.168 -10.236 3.373 1.00 0.00 H new ATOM 0 HA ARG A 538 -10.112 -8.856 1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -9.987 -11.692 2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -11.354 -11.109 2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -9.785 -10.494 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -8.466 -11.185 1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -9.371 -12.815 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -9.577 -13.375 1.170 1.00 0.00 H new ATOM 0 HE ARG A 538 -11.836 -11.914 -0.134 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -10.502 -14.983 0.984 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -12.083 -15.770 1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -13.851 -12.909 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -13.967 -14.604 0.502 1.00 0.00 H new ATOM 2368 N GLN A 539 -11.064 -9.807 4.987 1.00 0.00 N ATOM 2369 CA GLN A 539 -12.036 -9.584 6.040 1.00 0.00 C ATOM 2370 C GLN A 539 -12.039 -8.111 6.428 1.00 0.00 C ATOM 2371 O GLN A 539 -13.090 -7.516 6.637 1.00 0.00 O ATOM 2372 CB GLN A 539 -11.692 -10.434 7.256 1.00 0.00 C ATOM 2373 CG GLN A 539 -12.662 -10.266 8.414 1.00 0.00 C ATOM 2374 CD GLN A 539 -12.249 -11.025 9.655 1.00 0.00 C ATOM 2375 OE1 GLN A 539 -12.543 -10.604 10.782 1.00 0.00 O ATOM 2376 NE2 GLN A 539 -11.595 -12.143 9.481 1.00 0.00 N ATOM 0 H GLN A 539 -10.293 -10.419 5.254 1.00 0.00 H new ATOM 0 HA GLN A 539 -13.025 -9.866 5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 539 -11.671 -11.483 6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 539 -10.688 -10.178 7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 539 -12.748 -9.207 8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 539 -13.651 -10.603 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 539 -11.369 -12.460 8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 539 -11.310 -12.698 10.288 1.00 0.00 H new ATOM 2385 N VAL A 540 -10.850 -7.531 6.478 1.00 0.00 N ATOM 2386 CA VAL A 540 -10.678 -6.129 6.821 1.00 0.00 C ATOM 2387 C VAL A 540 -11.407 -5.233 5.809 1.00 0.00 C ATOM 2388 O VAL A 540 -12.173 -4.349 6.195 1.00 0.00 O ATOM 2389 CB VAL A 540 -9.172 -5.738 6.898 1.00 0.00 C ATOM 2390 CG1 VAL A 540 -9.007 -4.269 7.216 1.00 0.00 C ATOM 2391 CG2 VAL A 540 -8.449 -6.578 7.940 1.00 0.00 C ATOM 0 H VAL A 540 -9.977 -8.020 6.282 1.00 0.00 H new ATOM 0 HA VAL A 540 -11.114 -5.977 7.808 1.00 0.00 H new ATOM 0 HB VAL A 540 -8.730 -5.933 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 540 -7.946 -4.024 7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 540 -9.483 -3.673 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 540 -9.473 -4.050 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 540 -7.399 -6.288 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 540 -8.904 -6.417 8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 540 -8.525 -7.632 7.674 1.00 0.00 H new ATOM 2401 N ILE A 541 -11.198 -5.501 4.525 1.00 0.00 N ATOM 2402 CA ILE A 541 -11.850 -4.743 3.449 1.00 0.00 C ATOM 2403 C ILE A 541 -13.368 -4.902 3.536 1.00 0.00 C ATOM 2404 O ILE A 541 -14.109 -3.931 3.473 1.00 0.00 O ATOM 2405 CB ILE A 541 -11.392 -5.245 2.053 1.00 0.00 C ATOM 2406 CG1 ILE A 541 -9.880 -5.067 1.869 1.00 0.00 C ATOM 2407 CG2 ILE A 541 -12.165 -4.527 0.947 1.00 0.00 C ATOM 2408 CD1 ILE A 541 -9.342 -5.619 0.560 1.00 0.00 C ATOM 0 H ILE A 541 -10.579 -6.242 4.196 1.00 0.00 H new ATOM 0 HA ILE A 541 -11.568 -3.697 3.571 1.00 0.00 H new ATOM 0 HB ILE A 541 -11.609 -6.311 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 541 -9.641 -4.005 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 541 -9.365 -5.556 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 541 -11.832 -4.891 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 541 -13.231 -4.723 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 541 -11.984 -3.454 1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 541 -8.266 -5.452 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 541 -9.547 -6.688 0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 541 -9.827 -5.113 -0.275 1.00 0.00 H new ATOM 2420 N THR A 542 -13.798 -6.124 3.731 1.00 0.00 N ATOM 2421 CA THR A 542 -15.193 -6.452 3.834 1.00 0.00 C ATOM 2422 C THR A 542 -15.856 -5.751 5.042 1.00 0.00 C ATOM 2423 O THR A 542 -16.973 -5.222 4.938 1.00 0.00 O ATOM 2424 CB THR A 542 -15.319 -7.965 3.896 1.00 0.00 C ATOM 2425 OG1 THR A 542 -14.870 -8.534 2.644 1.00 0.00 O ATOM 2426 CG2 THR A 542 -16.704 -8.462 4.247 1.00 0.00 C ATOM 0 H THR A 542 -13.178 -6.928 3.824 1.00 0.00 H new ATOM 0 HA THR A 542 -15.729 -6.086 2.958 1.00 0.00 H new ATOM 0 HB THR A 542 -14.683 -8.298 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 542 -13.897 -8.647 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 542 -16.705 -9.552 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 542 -16.991 -8.079 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 542 -17.416 -8.114 3.499 1.00 0.00 H new ATOM 2434 N ASN A 543 -15.141 -5.701 6.162 1.00 0.00 N ATOM 2435 CA ASN A 543 -15.623 -5.006 7.363 1.00 0.00 C ATOM 2436 C ASN A 543 -15.674 -3.506 7.106 1.00 0.00 C ATOM 2437 O ASN A 543 -16.580 -2.826 7.549 1.00 0.00 O ATOM 2438 CB ASN A 543 -14.761 -5.345 8.603 1.00 0.00 C ATOM 2439 CG ASN A 543 -15.225 -4.657 9.905 1.00 0.00 C ATOM 2440 OD1 ASN A 543 -16.398 -4.324 10.081 1.00 0.00 O ATOM 2441 ND2 ASN A 543 -14.325 -4.496 10.837 1.00 0.00 N ATOM 0 H ASN A 543 -14.223 -6.133 6.268 1.00 0.00 H new ATOM 0 HA ASN A 543 -16.633 -5.353 7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 543 -14.770 -6.425 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 543 -13.728 -5.059 8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 543 -14.587 -4.087 11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 543 -13.360 -4.779 10.668 1.00 0.00 H new ATOM 2448 N LEU A 544 -14.704 -3.014 6.356 1.00 0.00 N ATOM 2449 CA LEU A 544 -14.647 -1.616 5.957 1.00 0.00 C ATOM 2450 C LEU A 544 -15.868 -1.259 5.085 1.00 0.00 C ATOM 2451 O LEU A 544 -16.398 -0.150 5.181 1.00 0.00 O ATOM 2452 CB LEU A 544 -13.278 -1.343 5.244 1.00 0.00 C ATOM 2453 CG LEU A 544 -12.949 0.078 4.675 1.00 0.00 C ATOM 2454 CD1 LEU A 544 -13.616 0.318 3.340 1.00 0.00 C ATOM 2455 CD2 LEU A 544 -13.325 1.183 5.658 1.00 0.00 C ATOM 0 H LEU A 544 -13.928 -3.575 6.004 1.00 0.00 H new ATOM 0 HA LEU A 544 -14.697 -0.966 6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 544 -12.490 -1.596 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 544 -13.200 -2.047 4.416 1.00 0.00 H new ATOM 0 HG LEU A 544 -11.870 0.108 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 544 -13.362 1.315 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 544 -13.271 -0.426 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 544 -14.697 0.238 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 544 -13.081 2.153 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 544 -14.394 1.137 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 544 -12.769 1.049 6.586 1.00 0.00 H new